期刊名称：CRYSTENGCOMM
 期刊简介(About the journal)
投稿须知(Instructions to Authors)
编辑部信息(Editorial Board)
About the journal
About CrystEngComm
Launched in October 1999, CrystEngComm has established itself as THE journal in which to publish cutting-edge crystal engineering research. The journal publishes Communications, Full Papers, Highlights and Letters. Its current impact factor is 3.468.
The scope of CrystEngComm includes:
Properties: Thermodynamics, phase transitional behaviours, polymorphism, solid state reactivity (crystal-crystal and gas-crystal reactions), optoelectronics, non-linear optics, molecular and bulk magnetism, conductivity and super conductivity, absorption and desorption, mechanical.
Target Crystals/Materials: Ionic, molecular, covalent and coordination solids, coordination polymers, hydrogen-bonded solids, intermolecular interactions, biominerals and biomimetic materials, synthetic zeolites, liquid crystals, nano and mesoporous crystals, channelled structures, crystal growth.
Techniques and Methods: Single crystal X-ray and neutron diffraction, powder diffraction, solid state spectroscopy, calorimetry, thermogravimetry, modelling and data mining, as well as empirical, semi-empirical and ab-initio theoretical evaluation of solids and of intermolecular interactions.
Instructions to Authors
Instructions for Authors (2004)
Also see: www.rsc.org/illustrations and www.rsc.org/electronicfiles
CONTENTS
1.0 General Policy
1.1 Scope of the Journal
1.2 Full Papers
1.3 CrystEngComm Highlights
1.4 Communications
1.5 Letters
1.6 Submission of Articles
2.0 Administration
3.0 Notes on the Preparation of Articles
3.1 Organisation of Material
3.2 Artwork Guidelines
3.3 Nomenclature
3.4 Deposition of Supplementary Data
3.5 Guidelines on Submitting Files for Proof Preparation
4.0 Single Crystal X-Ray Crystallographic Data
4.1 Title and Summary
4.2 Presentation of Crystal Data in the Manuscript
4.3 Supplementary Data Required for Assessment
and/or Deposition
4.4 Reference to Crystallographic Work Published in a
Preliminary Communication
4.5 Reference to Unpublished Crystallographic Work
5.0 Multimedia
5.1 Spectra etc.
5.2 Movies
5.3 Molecular Information
5.4 Three-Dimensional Images
1.0 General Policy
CrystEngComm is an international journal for the publication
of original research concerned with all areas of crystal engineering.
The use of electronic media for all stages in the publication
process leads to rapid publication times, and the enhanced
presentation of the research presented.
All contributions are judged on the originality and quality of
scientific content. Thus, articles reporting results which would
be routinely predicted or result from application of standard
procedures or techniques are unlikely to prove acceptable in the
absence of other attributes which themselves make publication
desirable.
There are no author charges for publishing in CrystEng-
Comm, and authors will receive a FREE pdf of their article,
which can be used for reprint purposes.
1.1 Scope of the Journal
Topics covered include:
Properties: Thermodynamics, phase transitional behaviours,
solid state reactivity, optoelectronics, NLO, molecular and bulk
magnetism, conductivity and super conductivity, absorption
and desorption, mechanical.
Target Crystals/Materials: Ionic, molecular, covalent and
coordination solids, biominerals and biomimetic materials, synthetic
zeolites, liquid crystals, nano and mesoporous crystals,
channelled structures.
Techniques: Single crystal X-ray and neutron diffraction,
powder diffraction, solid state spectroscopy (IR, Raman, NMR
etc.), calorimetry and thermogravimetry.
Methods: Modelling and data mining, as well as empirical,
semi-empirical and ab-initio theoretical evaluation of solids and
of intermolecular interactions.
1.2 Full Papers
Full Papers contain original scientific work that has not been
published previously. However, work that has been published
previously in a short form such as a CrystEngComm Communication
is normally acceptable, provided that it represents a substantial
amplification and extension of the original material.
There are no restrictions on the length of a paper.
1.3 CrystEngComm Highlights
CrystEngComm Highlights are normally published by
invitation of the Editorial Board. However, suggestions from
authors are welcome and enquiries regarding the submission of
CrystEngComm Highlights should be directed to the Managing
Editor, Dr J. S. Humphrey (crystengcomm@rsc.org).
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Highlights should be long enough to allow the authors to
make their principal points ¨C but no longer. The more effectively
these are made, and the more accessible the article, the
better. The old adage that ¡®one picture is worth a thousand
words¡¯ is particularly appropriate in an electronic medium.
1.4 Communications
Preliminary accounts of original and significant work of such
importance or novelty that rapid publication is justified may be
published in Communication form. Authors should provide
in a covering letter a justification as to why they feel that
publication of their work as a Communication is warranted.
The recommended length is four pdf journal pages, however
some flexibility is allowed. CrystEngComm Communications
should not contain section headings.
Full Papers based upon Communications are welcome,
provided that they represent a substantial amplification and
extension of the original material.
1.5 Letters
A CrystEngComm Letter is a medium for the expression of
scientific opinions and views normally concerning material
published in CrystEngComm or other RSC journals. It is
intended that contributions in this format should be published
rapidly. CrystEngComm Letters are for scientific discussion,
and are not intended to compete with media for the publication
of more general matters such as Chemistry in Britain, or for
revision/updating authors¡¯ own work. Letters should rarely
exceed one pdf journal page in length (about 3 pages of typescript)
and should contain no more than 5 references. Where a
Letter is polemical in nature, and if it is accepted, a Reply will
be solicited from other parties implicated, for consideration for
publication alongside the original Letter.
1.6 Submission of Articles
Articles for publication should be submitted using the RSC
electronic submission service (www.rsc.org/submissions). On
submitting their manuscripts, authors are encouraged to
supply the names and addresses of 2¨C3 potential referees. For a
Communication authors should briefly indicate in a covering
note or letter the reasons why they feel that rapid publication of
their work is justified.
All authors submitting work for publication are required
to sign an exclusive Licence to Publish (see www.rsc.org/is/
journals/current/coplic.htm).
Rapid publication is aided by careful preparation of text
and illustrations. Particular attention is drawn to the use of
(i) SI units and associated conventions, (ii) IUPAC nomenclature
for compounds and (iii) standard methods of literature
citation.
1.6.1 Online Submission of Articles [E-Submissions]. The
RSC electronic submission service allows any number of files
to be uploaded to the CrystEngComm Editorial Office. The
following files and information should be provided:
(a) A pdf version, if possible, of the manuscript as a single
file (containing text and figures). If a pdf version is not
possible, then the file in MS Word format will be
acceptable.
(b) Data for deposition with the Electronic Supplementary
Information (ESI) service (if appropriate, see Section
3.4).
(c) Details of any relevant preliminary Communications
(please give reference or include pdf file).
(d) Names of potential referees.
(e) A justification of why the work merits urgent publication
if the submission is a Communication.
(f ) Any multimedia files.
(g) A completed Licence to Publish (see www.rsc.org/is/
journals/current/coplic.htm)
After electronic submission your file will be acknowledged
by the Editorial Office as soon as possible. Authors should
contact the Editorial Office if they have not received an
acknowledgement within 4 working days.
1.6.2 Requirements for Revised Articles and Material for
Proof Preparation. Revised manuscripts may be sent to the
Editorial Office by electronic file upload (www.rsc.org/
submissions) or crystengcomm@rsc.org.
The revised files should be sent in the formats given in the
separate guidelines on submitting files for proof preparation
given in Section 3.5.
2.0 Administration
Receipt of a paper will be acknowledged, and the paper will be
given a reference number which authors are asked to quote on
all their subsequent correspondence. If no such acknowledgement
has been received after a reasonable period of time,
authors should check with the Editorial Office as to whether the
paper or the acknowledgement has gone astray.
Editorial Policy. Every paper will be considered by the Editor,
who will then consult with at least two referees. Submission of a
manuscript will be regarded as an undertaking that the same
material is not being considered for publication by another
journal.
Copyright. The whole of the literary matter (including tables,
figures, diagrams and photographs) in CrystEngComm is
subject to copyright and may not be reproduced without
permission from the Royal Society of Chemistry and such
other Owner of the copyright as may be indicated. However,
the Owner may reproduce/republish portions of the Work
without seeking permission, provided that any reproduction is
accompanied by an acknowledgement in the form:
(original citation) ¨C Reproduced by permission of the Royal
Society of Chemistry
To republish/reproduce the whole Work, the copyright
Owner must submit a written request to the RSC. The RSC will
agree to any reasonable request, provided that the owner
ensures that any such republication is accompanied by an
acknowledgement (in the above form) of first publication of the
Work by the RSC.
Reprints. Electronic reprints (pdf ) of each paper are made
available free of charge.
3.0 Notes on the Preparation of Articles
3.1 Organisation of Material
(a) Various templates for manuscript preparation are available
at www.rsc.org/is/journals/templates/templates.htm
(b) The first page should be set out as follows:
(i) Name and address of the author to whom the proofs
and correspondence should be sent.
(ii) Title of the paper.
(iii) Authors¡¯ names, including at least one forename or
initial for each author; an asterisk should follow the
name of the author who is to receive correspondence.
An e-mail address may be included at the end of the
address of the author who is to receive correspondence.
(iv) The address where the work was carried out; if this is
different from the current address of any author wishing
to deal with correspondence a footnote indicating the
present address of this author should be included. For
multiple authors at different locations italic superior
letters (a,b,c. . . following the asterisk if present) should
be used to identify addresses.
(v) Abstract, followed by a horizontal line, in double-line
spacing.
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(c) Suitable headings and sub-headings should be used in the
main text as appropriate (except for Communications in
which no headings are used).
(d) Equations and reactions should be numbered sequentially
through the text. For example, eqn. (1), reaction (2)
etc.
(e) Bibliographic references, or Notes and references, should
be numbered serially in the text by means of superscript
Arabic numerals. Authors are encouraged to check the
RSC Reviews web site to ensure that they have cited relevant
recent reviews: www.rsc.org/reviews
(f ) Notes and references should follow the main text and
should have the following format for journal articles:
author names, journal title, year of publication, volume,
issue, page range, e.g.:
1 Heike I. S¨¹ss, Martin Lutz and J¨¹rg Hulliger, CrystEng-
Comm, 2002, 4, 610¨C612.
2 Nicholas J. Turro, Chem. Commun., 2002, 2279¨C2292.
and for books: author names, title, editor, publisher and place
of publication, year, page number, e.g.:
1 G. R. Desiraju, Crystal Engineering: The Design of
Organic Solids, Elsevier, Amsterdam, 1989.
(g) Journal titles should be abbreviated according to the
Chemical Abstracts Service Source Index (CASSI).
(h) Tables should be prepared on separate pages at the end
of the manuscript.
(i) Diagrams should be provided on separate pages at the
end of the manuscript and accompanied by a separately
typed set of captions. Text and diagrams should not be
combined.
(j) Revised manuscripts should also be submitted in electronic
form. The guidelines for submission of files for proof
preparation are given in Section 3.5.
(k) Communications should include brief details of key
experiments (with amounts of reagents used) but more
extensive supporting data are not required; these can be
provided as supplementary information to assist referees
in their assessment of the work.
(l) A graphical contents entry is also required. The format
incorporates, where possible, a small graphic (maximum
size 4.5 cm in width ¡Á 4 cm in depth). Each entry should
be presented in such a way as to encourage further perusal
of the article, by highlighting the novelty and main
feature(s) of interest; excessive lists of results and, in
particular, cumbersome formulae should therefore be
avoided.
To facilitate rapid processing of your work and to avoid
omissions please ensure that submitted manuscripts clearly
indicate the desired location of unnumbered graphics in the
text, e.g. <structures 1¨C3 here>.
3.2 Artwork Guidelines
Please supply graphics in TIFF or EPS format, at a resolution
of 600 dpi.
All formulae and figures should be clear and in the case
of figures, provided with captions, listed on a separate page.
Illustrations should be prepared for a single (83 mm) or
double column (171 mm) width. Single column is preferred
and the maximum page depth is 233 mm. Artwork sent by
post should be supplied at its final size so that reduction is not
required.
3.2.1 Line Illustrations.
(a) Line illustrations should be drawn in black, using lines of
an even and adequate thickness (e.g. 1 pt). Curves should
be smooth. Broken, dotted and dot-dash lines may also
be used. Particular care should be taken to ensure that
lines in spectra are of an adequate thickness (i.e. not less
than 1 pt) for reproduction.
(b) Experimental data points must be of a reasonable size
and wherever possible confined to open and closed
circles, crosses, squares and triangles. Partly black circles
and similar signs frequently become indistinguishable in
print.
(c) Avoid the use of shading (tints) that simulate grey and
use line shading if appropriate. Diagrams containing several
grey shades are unlikely to reproduce successfully.
(d) If possible, lettering should be in an 8 pt Helvetica or
Arial font.
(e) For graphs, axis labels should use SI units, separated
from quantities with a solidus (/) not brackets, e.g. ¦Ë/nm,
103(T/K)1, 2¦È/degrees. Symbols representing physical
quantities should be given in italics, e.g. t/s, and units
should be expressed in the form, e.g. g ml-1 rather than
g/ml. Please note that % and ppm are ratios rather than
units and should therefore be given in brackets.
(f ) Extensive identifying lettering should be placed in the
captions, rather than on the figures. Curves may be
referred to by (a), (b), (c) etc. on the figure.
3.2.2 Structural Formulae.
(a) Structural formulae should be numbered with bold
Arabic numerals, e.g. 1, 2.
(b) Please use the following organic ligand abbreviations: Et,
Prn, Pri, Bun, Bui, Bus, But, Ph, CO2H, CO2R, R, R1,
R2,. . .
(c) Structures and schemes can be submitted electronically.
The settings for ChemDraw 3.5 are:
Drawing settings: chain angle 120; bond spacing 20% of
length; fixed length 0.43 cm; bold width 0.056 cm; line width
0.016 cm, margin width 0.044 cm, hash spacing 0.062 cm.
Text settings: font labels and atom labels should be in 7 pt
Helvetica; fractional character widths should be enabled.
To facilitate the submission of structural formulae on disk,
the preference files for ChemDraw 3.5 are available from the
Society on a 3.5¡± Macintosh disk. To obtain a copy, please
contact the Editorial Office at the Cambridge address. Structural
formulae produced on ChemWindow and ISIS/Draw
may also be submitted electronically. ChemWindow files should
be saved as ChemDraw (<filename>.CHM) and ISIS/Draw
exported as <filename>.TGF
3.2.3 Colour. Colour figures or computer-prepared artwork
are encouraged.
(a) Avoid tints or shading and if possible use only the following
colours (other colours may not reproduce well):
100% magenta
100% cyan
100% magenta 100% process yellow (to give red)
100% cyan 100% process yellow (to give green)
(b) Reproduction of colour figures is best from computer
generated artwork which should be saved as TIFF or
EPS files at = 600 dpi resolution.
3.3 Nomenclature
Current IUPAC nomenclature and symbolism should be used.
Attention is drawn to the following publications in which the
rules themselves and guidance on their use are given:
Nomenclature of Inorganic Chemistry, Blackwell Scientific
Publications, Oxford, 1990.
Nomenclature of Organic Chemistry, Pergamon, Oxford,
1979.
A Guide to IUPAC Nomenclature of Organic Compounds,
Blackwell Scientific Publications, Oxford, 1993.
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3.3.1 Units and Symbols. The recommendations of IUPAC
should be followed. Their basis is the Syst¨¨me Internationale
d¡¯Unit¨¦s (SI). A detailed treatment is given in the so-called
Green Book: Quantities, Units and Symbols in Physical Chemistry,
Blackwell Scientific Publications, Oxford, 1993.
3.4 Deposition of Supplementary Data
Information (such as spectra, primary kinetic data, computer
programs, and output, evidence for amino acid sequences, etc.),
which accompanies papers may be deposited, free of charge,
with the Society¡¯s Electronic Supplementary Information service
(ESI), either at the request of the author and with the
approval of the referees or on the recommendation of referees
and with the approval of the author. The final decision, however,
lies with the Editor.
Under this scheme, authors should submit articles and the
supplementary material to the Journal simultaneously in the
normal way, and both will be refereed. If the paper is accepted
for publication, electronic supplementary material will be
mounted on the RSC web server in an appropriate file format.
The supplementary material will be available from the RSC web
site at the internet address that will appear in the article.
3.4.1 Preparation and Submission of Material. Authors will
be responsible for the preparation of the supplementary
material. Electronic material should be supplied where possible
in the following file types:
(a) Microsoft Word
(b) WordPerfect
(c) Crystallographic Information File (CIF)
(d) XYZ, MDL MOLFile (MOL) or Brookhaven Protein
Databank (PDB) files
(e) JPEG/GIF (maximum size 640 480 pixels)
Authors must identify which manuscript the electronic file is
associated with when they send the file to the Editorial Office by
entering the name of the manuscript at the top of the electronic
file. CIF files should be sent by e-mail or supplied as part of the
file upload.
3.5 Guidelines on Submitting Files for Proof Preparation
Successful use of your electronic files should speed up the production
process and avoid errors being introduced.
3.5.1 Uploaded Files.
(a) The electronic files for proof preparation (for formats see
below) should be for the revised version of the manuscript.
At this stage do not provide pdf files.
(b) Please supply the manuscript text (incorporating any
revisions) and the graphics (for formats see below) as
separate files, since these have to go through different
production stages.
3.5.2 File Types.
(a) We prefer to receive Microsoft Word files, although we
will endeavour to use other electronic versions wherever
possible. For other word processors, also save the file as
Rich Text Format (.RTF) if possible.
(b) Graphics. ChemDraw files (saved as filename.CDX) are
preferred, but we can also accept ChemWindows (saved
as filename.CHM) and ISIS/Draw (exported as
filename.TGF).
(c) Please do not integrate your graphics files into the word
processor document.
3.5.3 Text Details. Please supply the text file as unjustified,
ranged left, and without end-of-line hyphenation. Auto-referencing
features that bury references within the text should not
be used.
3.5.4 Tables. Please include any tables at the end of the text
file, and use either the word processor¡¯s table editor or tabs for
formatting (but not a mixture of the two).
3.5.5 Graphics.
(a) Chemical structures as ChemDraw, ChemWindows and
ISIS/Draw files submitted separately to the manuscript.
(b) Artwork (other than structures) as TIFF, EPS or pdf at
600 dpi or greater resolution.
(c) Please supply these separately to the word-processed file.
3.5.6 Consistency. Check the manuscript carefully for consistency,
particularly in the representation of chemical formulae,
compound names and words with alternative spellings.
We will try to use the supplied data in our production process,
but mathematical equations and tables, in particular, may
be re-keyed by the typesetter. Page proofs should still be
checked closely.
4.0 Single Crystal X-Ray Crystallographic Data
The description of a crystallographic structure determination
should be as brief as possible, consistent with the following
guidelines, and should be included either at the end of the paper
or at the end of the Experimental section. An expanded version
of instructions for publication of crystallographic work can be
found on the RSC web site (www.rsc.org/is/journals/authrefs/
cryst.htm).
4.1 Title and Summary
For a paper reporting a crystallographic structure determination
it is not essential to indicate this information in the title,
e.g. by the words ¡°crystal structure of ¡±. Lengthy titles quoting
the formula of all the structures determined are strongly discouraged.
Whether or not the crystal structure determination
is indicated in the title, reference should be made to it in the
summary. The summary should not normally contain cell
dimensions and other crystal data, although these data may
be included for extended solids.
4.2 Presentation of Crystal Data in the Manuscript
If the procedures for data collection and structure analysis were
routine, their description should be particularly concise. When
the analysis has not been of a routine nature, the authors
should briefly detail the procedures used.
4.2.1 For Full Papers. The description may be given in textual
or tabular form, although the latter is more appropriate if
several structure determinations are being reported in one
paper.
A table of selected bond lengths and angles, with estimated
standard deviations, should be restricted to significant dimensions
only (for example it is rarely necessary to include data for
phenyl rings). Average values may be given (with a range
of esds) for chemically equivalent groups or for similar bonds.
Differences from expected norms should be noted.
4.2.2 For Communications. Details of the data collection
and structure analysis should be given as a note in the Notes
and references section.
Selected bond lengths and angles, with estimated standard
deviations, should be included in the figure captions and be
restricted to significant dimensions only.
4.2.3 Data Required for Presentation in the Manuscript. For
both Full Papers and for Communications, the following
information should be given in the manuscript:
(1) Chemical formula and formula weight (M).
(2) Crystal system.
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(3) Unit-cell dimensions (Å or pm, degrees) and volume,
with estimated standard deviations, temperature.
(4) Space group symbol (if non-standard setting give related
standard setting).
(5) No. of formula units in unit cell (Z).
(6) Linear absorption coefficient (¦Ì).
(7) Number of reflections measured and/or number of
independent reflections and Rint.
(8) Final R values (and whether quoted for all or observed
data).
For full papers, the description may be given in textual or
tabular form, although the latter is more appropriate if several
structure determinations are being reported in one paper. For
Communications, details of the data collection and structure
analysis should be given in a footnote or in the References/
Notes section.
Any tables of selected bond lengths and angles, with estimated
standard deviations should be restricted to significant dimensions
only (for example it is rarely necessary to include data for
phenyl rings). Average values may be given (with a range of
e.s.d.s) for chemically equivalent groups or for similar bonds.
Differences from expected norms should be noted.
4.3 Supplementary Data Required for Assessment and/or
Deposition
Authors should submit all supplementary crystallographic data
as a Crystallographic Information File (CIF) file via file upload
or crystengcomm@rsc.org. Authors should combine multiple
data sets for a given manuscript into a single file. The individual
structures in the combined file must be separated from each
other by the sequence #=== END at the beginning of a line.
Authors must identify which manuscript the electronic file is
associated with when they send the file to the Editorial Office by
entering the name of the manuscript at the top of the electronic
file.
The information required for deposition includes:
(1) A table of final fractional atomic coordinates.
(2) Any calculated coordinates (e.g. hydrogen).
(3) A full list of bond lengths and angles with estimated
standard deviations.
(4) A full list of displacement parameters in the form Bij or
Uij (in Å2 or pm2).
(5) FULL details of the refinement.
A full checklist of data items required for deposition,
together with full details for CIF submissions, is available by
request from the editorial office or via the RSC web pages
(http://www.rsc.org/is/journals/authrefs/cryst.htm).
The Cambridge Crystallographic Data Centre (CCDC)
have a freely available programme which allows users to
add RSC required information to cif files via a user-friendly
graphical interface. Download EnCIFer for free at
http://www.ccdc.cam.ac.uk/prods/encifer
The IUCR also have a free cif checking facility available at
http://checkcif.iucr.org. Authors are encouraged to validate
their cif files before submission.
Tables of structure factors (Fo, Fc) should not be sent, but
copies should be retained by the authors so that they may be
made available via the Editorial Office if requested.
4.3.1 Deposition of Material at the Cambridge Crystallographic
Data Centre.. Supplementary crystallographic data will
be deposited by the Society with the Cambridge Crystallographic
Data Centre (CCDC) as part of the assessment process.
Each structure will be assigned a separate CCDC number that
will be quoted in the subsequent crystallographic report. Data
will be held in the CCDC¡¯s confidential archive until publication
of the article, when data for organic and metallo-organic
compounds will be entered into the Cambridge Structural
Database, and data for inorganic compounds will be forwarded
to Fachinformationszentrum Karlsruhe for inclusion in the
Inorganic Crystal Structure Database. Post-publication
requests for individual data sets (organic or inorganic) should
be directed to CCDC, 12 Union Road, Cambridge, UK CB2
1EZ (deposit@ccdc.cam.ac.uk; Fax: 44 (0)1223 336033).
If the article is not published by the RSC, supplementary
crystallographic data will remain in the CCDC¡±s confidential
archive. If the crystal structure(s) are subsequently published
elsewhere, the CCDC Deposition Number(s) provided in the
RSC crystallographic report should be quoted in that publication,
and the CCDC advised of the new journal and the
appropriate reference. Data will then enter the appropriate
database as described above.
4.4 Reference to Crystallographic Work Published in a
Preliminary Communication
It is permissible to regard a fully refined crystal structure
determination published in a Communication as archival
material. If an author does not wish to discuss the structure
again at any length in the corresponding full paper, his purpose
will be served by a simple reference back to the original communication,
and need not re-present the associated data for
publication or for the referees. However if these conditions are
not fulfilled, the data should be re-presented in full and will be
re-published if considered necessary.
4.5 Reference to Unpublished Crystallographic Work
There may be cases (other than that just described) when an
author wishes to publish a paper in which the result of a crystal
structure determination is discussed, but does not wish to
include details or extensive discussion. The author may not
even wish to include the crystallographer as co-author (for
example when the determination is carried out by a commercial
company). If the author is able to show the referees that this
procedure is appropriate, it will be allowed provided that it does
not lead to unnecessary fragmentation. However the author
must provide, as supplementary information, sufficient data
relating to the crystal structure determination to allow a referee
to make sure that the point made is correct, and coordinates
etc. will be deposited at the Cambridge Crystallographic Data
Centre (or the Fachinformationszentrum Karlsruhe). The brief
published description of the determination should be supplemented
by appropriate reference to ¡®unpublished work¡¯.
5.0 Multimedia
While not a requirement for publication, authors are encouraged
to make the most of the latest technology to enhance the
presentation of their work. These notes outline how this can be
achieved, and also the formats preferred. Use of these formats
will ensure that articles are published in the quickest time possible.
All article information must be submitted electronically.
Some example figures, and a tutorial on how readers can
get the most out of enhanced figures, are available at
www.rsc.org/is/journals/current/e-only/tutorial3.htm
5.1 Spectra etc.
Certain software packages allow spectra, HPLC traces etc.
from a spectrometer to be saved in the JCAMP-DX
format. The file specifications for some of these packages
are available free from the IUPAC Working Party on
Spectroscopic Data Standards (JCAMP-DX) website
(http://www.isas-dortmund.de/projects/jcamp/jcamp.htm).
Plots in JCAMP-DX format can then be displayed using the
Chime plug-in and expanded and manipulated on screen. Providing
JCAMP-DX files allows readers to save spectra for direct
comparison with their spectra.
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5.2 Movies
Authors are encouraged to include movies in their articles
in those instances where a static image will not satisfactorily
convey the information presented. Authors are requested to
prepare their movies in a commonly used format, such as mpeg,
or quicktime. Since movies tend to use a lot of memory, authors
are requested to keep such presentations as small as possible,
in order to reduce download times for readers. The appropriate
file extension should be attached to each video file, for
example .qt or .mov for quicktime, .mpeg, etc.
Acceptable file types include:
MPEG
Quicktime
5.3 Molecular Information
Authors presenting molecular coordinates from crystallographic
or modelling studies in their submitted articles can
benefit from presenting such results in Brookhaven protein
databank (PDB), MDLI Molfile or xyz format. While coordinates
provided by most crystallographers normally come in
SHELX format, conversion of SHELX to PDB can be easily
accomplished using SHELX93, Chem3D or Babel. The crystallographer,
however, must ensure that all the molecular coordinates
are written out (not just the unique asymmetric
atoms), when the file is created.
Advice on the preparation of suitable files is available from
the Editorial Office, and in some cases, the Editorial Office will
be able to convert CIF files to 3D xyz files on behalf of the
authors. Authors requesting this service should clearly state this
in their submission letter (crystengcomm@rsc.org).
Acceptable file types include:
Brookhaven PDB
MDL MOL
XMOL XYZ
MDLSketch
RASMolScript
CSML
5.4 Three-Dimensional Images
3D images of, for example, results from molecular modelling or
molecular orbital calculations can be displayed as 3D images,
which allow readers to rotate, zoom in etc. to inspect the figures
more closely. These figures canbe viewed using the free
ChimeTM Plug-in, or Cosmoplayer, which are available from
www.rsc.org/suppdata/plugin.htm
Acceptable file types include:
MOPACInput
GaussianInput
VRML
Instructions to Authors
c1466-8033.pdf
Editorial Board
Dario Braga (Scientific Editor)
Email dario.braga@unibo.it
University of Bologna, Italy
Crystal engineering of molecular materials based on inorganic and organometallic building blocks - hydrogen bonding interactions between ions - nucleation, crystal growth, phase transitions and polymorphism
Lee Brammer (Chair, Editorial Board)
Email lee.brammer@sheffield.ac.uk
University of Sheffield, UK
Supramolecular chemistry, organometallic chemistry involving metal-hydrogen interactions, crystal engineering using metal-containing building blocks, hydrogen bonding in inorganic chemistry, intermolecular interactions, X-ray and neutron diffraction, charge density analysis of chemical bonding, computational chemistry.
Dr Neil Champness
Email neil.champness@nottingham.ac.uk
University of Nottingham, UK
Inorganic co-ordination networks, inorganic supramolecular chemistry, polycatenanes, polyrotaxanes and interpenetration, crystal engineering
Phillip Coppens
Distinguished Professor of Chemistry
Email: coppens@acsu.buffalo.edu
State University of New York at Buffalo, NY, USA
Light-induced changes in molecular crystals, experimental mapping of the distribution of electrons, supramolecular chemistry and crystal engineering, quantum chemical calculations of molecular processes
Gautam R Desiraju
Email desiraju@uohyd.ernet.in
University of Hyderabad, India
Crystal engineering and packing of molecular solids, the relationship between crystal structures of molecular solids and their physical and chemical properties; weak intermolecular interactions; inclusion compounds; strong and weak hydrogen bonding; supramolecular chemistry; supramolecular synthesis
Jürg Hulliger
Email juerg.hulliger@iac.unibe.ch
University of Berne, Switzerland
Inorganic crystals for optical applications, molecular crystals for nonlinear optical and other applications, new oxide materials for superconductivity, calculations of stochastic processes.
Joel S Miller
Email jsmiller@chemistry.utah.edu
University of Utah, USA
New materials based upon molecular chemistry; the preparation and characterization of new materials with fascinating magnetic, electrical, and optical properties; the preparation of magnets based on molecular/organic/polymeric chemistry
Sally L Price
Email s.l.price@ucl.ac.uk
University College London, UK
Intermolecular forces, model non-bonded potentials, molecular crystal structure prediction, molecular modelling, electrostatic forces, properties of crystals of organic molecules
International Advisory Editorial Board
C Aakeröy
Kansas State University, USA B Kahr
University of Washington, USA
L A Addadi
The Weizmann Institute of Science, Israel J MacDonald
Worcester Polytechnic Institute, USA
R Bishop
University of New South Wales, Australia L MacGillivray
University of Iowa, USA
R Boese
Essen Institute for Inorganic Chemistry, Germany S Mann
University of Bristol, UK
I Dance
University of New South Wales, Australia T Marks
Northwestern University, USA
B M Foxman
Brandeis University, USA J Novoa
University of Barcelona, Spain
M Fujita
Nagoya University, Japan A G Orpen
University of Bristol, UK
A Gavezzotti
University of Milan, Italy D Proserpio
University of Milan, Italy
I Goldberg
Tel Aviv University, Israel K Rissanen
University of Jyvaskyla, Finland
K Harris
Birmingham University, UK M Schröder
University of Nottingham, UK
M W Hosseini
Universit?Louis Pasteur, Strasbourg, France J Steed
University of Durham, UK
C Janiak
University of Freiburg, Germany F Toda
Okayama University of Science, Japan
Staff
Editorial staff - concerned with all stages up to final acceptance
Dr Jamie Humphrey
Managing Editor
Dr Claire Darby
Deputy Editor Dr Kirsty Anderson
Kathryn Sear
Assistant Editors
Emma Gilson
Publishing Assistant
Production staff - concerned with all stages from acceptance to publication
Dr Stephen Wilkes
Team Leader, Serials Production
Dr Janette Lane
Tanya Smekal
Technical Editors Sonya Spring
Editorial Secretary
Carolyn Knighton
Graphics
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