The following instructions for submitting to
Acta Crystallographica Section E
are organized in
question-and-answer format. You can read through the questions in
order, or click on any of the questions to jump directly to the answer.
When you're ready to continue, go back to the submissions
home page.
Context sensitive help is available throughout the submission procedure
by clicking on the help icons
Please note: These instructions should be read
together with the Notes
for Authors, which give overall guidelines on submitting an
article.
Getting started
Submission and review
Getting help
Getting started
How do I begin submitting an article?
When you are ready to submit an article and have all the necessary items ready, you should go to the submissions home page to start the process.
To submit your article, you will be asked to provide
information on your submission, to upload a CIF, structure factors and
graphics files, and to select a Co-editor.
You will be asked to confirm that you will
pay the open access fee or
have a waiver.
The process is reasonably
self-explanatory, and detailed
help is provided along the way.
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What should I have ready before starting
a new submission?
Before you begin submitting, you should have the following items ready:
- your article prepared as a CIF (see below for more information on preparing and
pre-checking your CIF) and a structure factor or Rietveld data file in CIF
format;
- your full contact details (e-mail address, mailing
address, telephone and fax numbers);
- details of the authors of your article (surnames, forenames
and e-mail addresses of all authors);
- other details of the article you are submitting
(article title, language in which your article is written, article
category);
- any comments regarding your article (e.g. suggestions for referees) in plain,
unformatted text, ready to be copied and pasted (or typed directly)
into the web site;
- a high-resolution graphics file in TIFF, PostScript,
encapsulated PostScript
or HPGL format for each
chemical scheme and supplementary figure,
and any other supplementary files you wish to submit;
- an abstract in plain, unformatted text, ready to be copied
and pasted (or typed directly) into the web site;
- the location of your source files on your local
filesystem.
In addition,
you need to be ready to confirm that you will
pay the open access fee or
have a waiver. It may also be
useful to identify, in advance, Co-editors
who you would prefer to handle your article.
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What does the overall submission and
review procedure involve?
The overall procedure involves
seven
stages:
- Stage 1
You will be asked to provide your email details, select your article
category and upload your CIF and structure factors. If your CIF conforms to the
submission requirements for the journal (see below),
you will be asked to continue to Stage 2. If
your CIF does not conform to the submission requirements, you will be
requested to correct your CIF before proceeding.
- Stage 2
You will be asked to check your contact details and details of the
article (see above ).
- Stage 3
You will be asked to upload graphics files and supplementary data for
your
article (see below ).
- Stage 4
The system will also ask you to
agree to the licence arrangements for
your article (see below), and also state
that you have complied with the ethical requirements of the journal.
- Stage 5
You will be invited to select a Co-editor,
from a list of those available, to coordinate the review of your
article; comments concerning your article (e.g. the names of potential
reviewers) may be typed into the
space provided.
- Stage 6
The system will assign a
Co-editor to your article. You will be
given the contact details of
this Co-editor and a Co-editor reference code. The reference
code has two letters and four digits (e.g. au6165) and should be
quoted in all subsequent communications with the Co-editor and the
Editorial Office. You will also be provided with a web address for accessing and
viewing your article home page. You should keep a record of the web
address
for
viewing your article and the Co-editor code of your article.
The Co-editor will arrange for the review of your article and will
inform you by e-mail of the outcome of the review. You may be asked to
submit revised versions of your article (see below).
Please note that revisions should only be submitted
at the request of the Co-editor handling your article.
- Stage 7
Your submission is now complete and you will be returned to the home
page for your article. If you wish to submit a covering
letter at this stage, it may be uploaded using the contact
co-editor tab.
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Which items will be published and which will be
supplementary materials?
Details of which items will be published
and which will be supplementary materials can be found
in the Notes for
Authors.
-
The published article will consist of the title, authors, key
indicators, an Abstract, a new Related literature
section, Experimental data sections (Crystal data,
Data collection, and Refinement), very brief table(s), a
chemical scheme, Acknowledgements and References.
-
The Experimental text sections and Comment will no longer
appear in the published article, but this information should still be
provided by authors for inclusion in the HTML and PDF supplements.
-
Figures will be available through the HTML and PDF supplements to the paper.
-
You will be asked to check and approve the supplements to the paper at
the acceptance stage.
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Where can I find more information about
open access?
-
Open-access policy. For further information on the open-access
policy of the journals, click
here.
-
Fees and payment. For information on who should pay, when should payment be made, how to pay, and discount and waiver options,
click here.
-
Frequently-asked questions. For a set of frequently asked questions
regarding open access, click here.
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Submission and review
What kinds of file may I submit?
The files should be prepared for submission according to the Notes
for Authors; the files that we will require are as follows:
- Your article prepared as a CIF (crystallographic
information file); see below for more information
on preparing and
pre-checking your CIF
- A structure factor or Rietveld data file in CIF
format
- A high-resolution graphics file in TIFF, PostScript,
encapsulated PostScript
or HPGL format for
each chemical scheme and supplementary figure;
see below for more information
on graphics files
- Files of any additional
supplementary
material that should accompany your publication
For each file you will be asked to
- Select the role of the file, its number and part
number as applicable
- Locate the file on your local system
- Upload the file
You may overwrite an incorrectly uploaded file by uploading a
replacement file with the same role, number and part number.
Once you have uploaded all your files, you should CONTINUE to the
next stage.
All files will be automatically converted into a PDF review document
by the submission system. In addition to your article, this
document will also include checkCIF and duplication reports.
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How do I create and pre-check my CIF?
Guidelines for the preparation and editing of your CIF, the data items
required therein, standard data codes and keywords, CIF templates,
example CIFs, and data-validation criteria and procedures are available
from an online CIF help page.
A free CIF editor (enCIFer)
is available from http://www.ccdc.cam.uk,
and a program for editing your CIF and previewing your article,
publCIF, is also available.
Most standard crystallographic packages will generate
CIFs suitable for submission.
In cases where this is not possible, or if you
wish to generate CIFs to a standard pattern, templates are provided
for the preparation of single-crystal and powder CIFs.
Once you have created your CIF, you should pre-check it using the checkcif service at http://journals.iucr.org/services/cif/checkcif.html
. Any reported problems with the submitted data
will need to
be corrected before submission. If the report contains validation
alerts about the consistency, adequacy or quality of the data, these
will need to be addressed, or, if there are
specific valid or unavoidable reasons for these alerts, the validation
response form (VRF) supplied by checkcif
must be completed and included in the submitted CIF, preferably with
the addition of appropriate explanatory text in the published
experimental section of the CIF.
It is also recommended that you preview your article before submission
using the printcif service at http://journals.iucr.org/services/cif/printcif.html
.
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How do I decide which journal category (inorganic, metal-organic or organic) to submit to?
Your article should be submitted in one of the following journal categories:
-
Inorganic
compounds. This category reports structures not containing any organic
(CxHy) or substituted organic
(CxHy−1F, CxFy
etc.) moiety. It includes metal elements, intermetallic
compounds, non-metal elements, compounds of non-metals (excluding
organic compounds), salts of inorganic acids and coordination complexes
not containing organic moieties. Metal carbides, carbonates,
cyanides, isocyanides, cyanates, isocyanates and thiocyanates are
published in this category, as are coordination complexes with carbon present only as
carbonyl, cyanide, cyanato etc. ligands.
Examples:
Be, Gd2Pt, C (graphite), SiC, NaHCO3,
K[Co(CN)(CO)2(NO)].
- Metal-organic
compounds. This category reports structures containing one or more
metal atom and one or more organic moiety (not simply a metal—carbon
bond). It includes metal salts of organic acids, coordination complexes
in which carbon is present in an organic or substituted-organic
ligand, metal (or metal salt)–organic addition compounds. In this context, Al, Ge,
As, Sb and Po are defined as metals.
Examples:
Ba(CHO2)2, K4[Zr(C2O4)4].5H2O,
K[PtCl3(C2H4)], CaBr2.4CH4O.
- Organic
compounds. This category reports structures containing carbon and
hydrogen (or hydrogen partially or fully substituted by a non-metal)
with or without additional non-metals. B, Si, Se, Te and At are
defined as non-metals.
Examples:
C7H4N4, CCl4, C6N4,
C4H8Se4.
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How do I prepare an enhanced figure?
A toolkit is available which allows you to create one or more
enhanced figures and their corresponding static figures.
This application uses the CIF for your structure to produce a figure
which you can manipulate as required. You may use the toolkit
before submission by clicking
here. Alternatively, during the submission process, you may
create an enhanced figure directly from your uploaded CIF.
An example of an enhanced figure which has been prepared in this way is
Knott et al. [Acta Cryst. (2008), E64, o1101].
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How do I prepare figures and chemical
schemes?
You should prepare
chemical structure diagrams and supplementary figures
in HPGL,
PostScript,
encapsulated PostScript
or TIFF format. The resolution
of bitmap
graphics should be a minimum of 600 d.p.i.
at 8.8 cm width.
You should provide a chemical structural diagram (a typical example is
shown below) for molecular compounds.
You are also encouraged to submit a chemical connectivity (CDX, CML, MOL, SDF, SMI) file
for each structure
(see below for more information).

A labelled ellipsoid diagram
for inclusion in the supplementary materials should be provided
for each species. You are also
encouraged to supply additional figures, e.g. packing diagrams.
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Should I submit supplementary data?
A separate structure factor or Rietveld data file in CIF
format should be submitted for each structure reported. Additional
supplementary material may also be submitted;
for a full list of allowed file types, click here. Chemical connectivity (CDX, CML, MOL, SDF, SMI) files are particularly welcome (see below for more information).
Details of which items will be published as supplementary materials are
given above.
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Should I submit chemical connectivity files?
A chemical connectivity (CDX, CML, MOL, SDF, SMI) file should be submitted for each reported structure. These files will be made available as part of the supplementary materials for each article and will be used to provide InChI (International Chemical Identifier) keys for the article, making the structures easier to find in the chemical literature.
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What do I need to do about copyright?
When the files for your article have been successfuly uploaded, you
will be asked to confirm that you agree to
a Creative Commons Attribution
licence for your article. As the journal
is open access, you will not be asked to transfer copyright. If for any
reason you are unable to agree to the licence, you should fill out the
reasons for this in the space provided on the licence page.
If you have any questions about copyright, please contact support@iucr.org.
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Where should I put my response to a
review of my article?
You should generally respond to review comments by e-mailing the
Co-editor handling your article using the contact co-editor
tab on the article review page; if your article has been revised
it should also be re-uploaded at this stage,
see below. Short responses to review
comments may be pasted or typed into the space provided at the foot
of the upload revision tab.
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How do I submit a revised article?
To upload a revised version of your article following review comments,
you should use the web address supplied to you during the initial submission procedure. The Co-editor will
instruct you as to which files they require to be revised. In some
circumstances, the Co-editor may
elect to revise your CIF and ask you to view the revised CIF at the web address for your article.
Revised graphics files and supplementary material may also be requested
at this stage. If figures need to be renumbered as a result of the revisions,
use the change ordering of figures button to renumber the figures.
Please note: revisions should be submitted only at the
specific request of the Co-editor handling your article.
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Getting help
What are some common pitfalls I should
avoid?
- Check your article fully before submitting it.
If you find problems after the submission is complete, you will be
required to resubmit your article online. Any such changes could delay
the processing of your article.
- Ensure that your
article is clearly written and
grammatically correct. Your article may be rejected if it is
poorly written. If you do not have good language skills in the
language of
submission you are expected to seek local assistance before submission
of your article.
- Make sure that any covering or background
information is correctly submitted. Any information relevant to
your
submission should be pasted or typed into the _publ_contact_letter
section of your CIF.
- Be sure to use only the supported file formats.
Your submission will not be processed if you use any other formats, and
you will need to resubmit it.
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What tools are available to help prepare
my article?
A number of tools are available to help with the preparation of
your article:
- Checking your structure. Your structure can be
checked using the checkCIF/PLATON service. You should ensure that a full
structural
check is run on the final version of your CIF prior to submission.
- Editing your CIF. A CIF editor is available
from the Cambridge
Structural Database for preparing your CIF.
- Previewing and editing your CIF. The program publCIF is available for
previewing and editing your CIF.
- Printing your
CIF.
You may also print a preview of your
article using the printcif service at http://journals.iucr.org/services/cif/printcif.html
.
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What if the Co-editor I wish to submit to
is unavailable?
If you have a preference for a particular Co-editor, and that Co-editor is not
available when you submit your article, you should, before selecting a
Co-editor, contact support@iucr.org
to see when the
Co-editor will next be available. Likewise, if you wish to submit a
series of related papers to the same Co-editor, please contact support@iucr.org before starting
your submissions.
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What is an IUCr ID?
Your IUCr ID is your user name for all IUCr online services. The
International Union of Crystallography has brought several of its
online services for users, including the World Directory of
Crystallographers and e-mail alerting for IUCr journals
(Crystallography Journals Online), under a single registration
system. With this system, each user needs to register information such
as their name and e-mail address only once, and can simply and easily
keep their own information up to date.
Registration is
simple, with only a small amount of information required, although
users who wish to be included in the World Directory of
Crystallographers should provide contact and biographical
information that is as complete as possible. Once registered, each
user may use their IUCr ID and password at any time, for instance to
log in to update their details for the World Directory of
Crystallographers, to change e-mail addresses and the e-mail
alerts received at each address.
If you are already registered (if you are already in the World
Directory of Crystallographers), click here to search for your IUCr ID.
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What should I do if I do not have the e-mail
address of a co-author?
During submission you will be asked to provide
e-mail addresses for all authors. These addresses
will be used to inform your co-authors that the article
has been submitted. In some cases, e.g. where a
co-author is a student who is no longer at your institution,
it may be difficult to provide an e-mail address. If you are
unable to find an address for a coauthor, you may substitute
your e-mail address when filling out the form
at Stage 2 of the submission.
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What should I do if I get stuck?
You will find detailed help links throughout the submission
pages, and you can use any of these links without stopping the
submission. If you are having more serious problems, you should contact
support@iucr.org.
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