Refereeing Procedure and Policy

11.0 X-Ray Crystallographic Work

All papers containing X-ray crystallographic work will be refereed for their chemical interest, and all crystallographic determinations will be assessed. If the Editor considers it advisable, the paper may be sent to a specialist crystallographer for comment. Assessors of crystallographic determinations will not normally be expected to check values of structural parameters for publication (e.g. bond lengths and angles against atomic coordinates; this will be done after publication by the appropriate crystallographic data centre), but should still pay attention to the quality of the experimental crystallographic work.

Papers will often contain the information in their titles that an X-ray structure determination has been carried out. However, this is not obligatory, especially if the X-ray determination forms only a minor part. Summaries should normally contain this information.

A structure referred to in a Communication will normally be fully refined. The Communication can then be considered to fulfil the archival function, and the structure determination may not require further detailed assessment when presented as part of a full paper. In the full paper, the author's purpose will then be served by a simple reference back to the original communication. However, if the crystallography is discussed again at any length in the full paper, the data should be re-presented to the referees in full, and re-published if considered necessary.

There may be other cases when an author wishes to publish a full paper in which the result of a crystal structure determination is discussed, but in which details or extensive discussion are considered unnecessary. The crystallographer may even be omitted as a co-author (for example when the determination is carried out by a commercial company). If the author is able to show 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 crystallographer to make sure that the point made is correct. The brief published description of the determination should be supplemented by appropriate reference to 'unpublished work'.