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Deposition of crystallographic data
DEPOSITION OF CRYSTALLOGRAPHIC
DATA
Information and Instructions to Authors of Papers Containing or Comprising Crystal Structure Determinations
1. Policy. Polyhedron will accept for publication papers containing or comprising the results of crystal structure determinations, provided the results are clearly shown to be of interest and/or significance to inorganic chemists. 2. Presentation o f Crystallographic Results. All opportunities to present the results in a concise format should be taken. In general, authors should keep the description of data collection, structure solution and refinement to a minimum, especially if these procedures were standard and routine. Reference to a previous paper containing a more detailed experimental description is to be welcomed. If any parts of the structure analysis were unusual and are considered worthy of special mention and discussion, authors are advised to consider the possibility of summarising the structural results in a Polyhedron paper (or Note if only the crystallographic results are being reported), submitting a more crystallographic paper, to say, Acta Crystallographica Part A or B. In addition, the following specific points should be noted. (a) Crystal Data. These should be presented, in the concise Roy. Soc. Chem. or Acta Crystallogr. short structural paper style, in the Experimental section. (b) The atomic coordinates and thermal parameters will not be published in the journal, but a copy must be submitted as supplementary material for deposition in the Crystallographic Data files at Cambridge or Bonn (see below). (c) A clear, labelled diagram of the structure (molecule, complex ion or unit cell contents if the structure comprises a network system) must be included in the paper. (d) A list ofaU relevant bond lengths and angles must be included in the paper. In most cases this would comprise parameters relating to the coordination sphere and any unusual ligand or form of ligand. Data for phenyl rings etc. should not be published, but submitted as part of the supplementary material (see below). 3. Supplementary Material. Authors should submit, along with the two copies of this paper, one copy of supplementary material comprising: (a) Lists of observed and calculated structure factors (for refereeing purposes only; these will not be deposited). (b) A totally readable list of atomic coordinates, thermal parameters, bond lengths (or contact distances) and angles for deposition at the relevant Crystallographic Data Centre. This list could be a part of a computer listing (on unlined paper if possible) of the final leastsquares run, provided that in the bond-length and angle list, either all parameters appear only once or such a unique set of values have been clearly indicated in the list by the author (e.g. underlined or highlighted with transparent fluorescent pen). (c) Part of a computer listing showing the cell dimensions and symmetry operations (to allow cross checking of the typed values in the paper). The Editorial Office will submit the relevant data for deposit to either: The Cambridge Crystallographic Data Centre (CCDC), for organometallic or metalloorganic compounds, or
The Institut fiir Anorganische Chemie (IAC) in Bonn, for 'inorganic' materials and will include a suitable footnote in the paper.
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DATA
Information and Instructions to Authors of Papers Containing or Comprising Crystal Structure Determinations
1. Policy. Polyhedron will accept for publication papers containing or comprising the results of crystal structure determinations, provided the results are clearly shown to be of interest and/or significance to inorganic chemists. 2. Presentation o f Crystallographic Results. All opportunities to present the results in a concise format should be taken. In general, authors should keep the description of data collection, structure solution and refinement to a minimum, especially if these procedures were standard and routine. Reference to a previous paper containing a more detailed experimental description is to be welcomed. If any parts of the structure analysis were unusual and are considered worthy of special mention and discussion, authors are advised to consider the possibility of summarising the structural results in a Polyhedron paper (or Note if only the crystallographic results are being reported), submitting a more crystallographic paper, to say, Acta Crystallographica Part A or B. In addition, the following specific points should be noted. (a) Crystal Data. These should be presented, in the concise Roy. Soc. Chem. or Acta Crystallogr. short structural paper style, in the Experimental section. (b) The atomic coordinates and thermal parameters will not be published in the journal, but a copy must be submitted as supplementary material for deposition in the Crystallographic Data files at Cambridge or Bonn (see below). (c) A clear, labelled diagram of the structure (molecule, complex ion or unit cell contents if the structure comprises a network system) must be included in the paper. (d) A list ofaU relevant bond lengths and angles must be included in the paper. In most cases this would comprise parameters relating to the coordination sphere and any unusual ligand or form of ligand. Data for phenyl rings etc. should not be published, but submitted as part of the supplementary material (see below). 3. Supplementary Material. Authors should submit, along with the two copies of this paper, one copy of supplementary material comprising: (a) Lists of observed and calculated structure factors (for refereeing purposes only; these will not be deposited). (b) A totally readable list of atomic coordinates, thermal parameters, bond lengths (or contact distances) and angles for deposition at the relevant Crystallographic Data Centre. This list could be a part of a computer listing (on unlined paper if possible) of the final leastsquares run, provided that in the bond-length and angle list, either all parameters appear only once or such a unique set of values have been clearly indicated in the list by the author (e.g. underlined or highlighted with transparent fluorescent pen). (c) Part of a computer listing showing the cell dimensions and symmetry operations (to allow cross checking of the typed values in the paper). The Editorial Office will submit the relevant data for deposit to either: The Cambridge Crystallographic Data Centre (CCDC), for organometallic or metalloorganic compounds, or
The Institut fiir Anorganische Chemie (IAC) in Bonn, for 'inorganic' materials and will include a suitable footnote in the paper.
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