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Information card for entry 4327656
Preview
| Coordinates | 4327656.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H28 Br N6 O7 S4 V2 |
|---|---|
| Calculated formula | C29 H24 Br2 N8 O8 S4 V2 |
| Title of publication | Mixed-Oxidation Divanadium(IV,V) Compound with Ligand Asymmetry: Electronic and Molecular Structure in Solution and in the Solid State |
| Authors of publication | Subodh Kanti Dutta; Satyabrata Samanta; Sujit Baran Kumar; Oc Hee Han; Pannee Burckel; A. Alan Pinkerton; Muktimoy Chaudhury |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1999 |
| Journal volume | 38 |
| Pages of publication | 1982 - 1988 |
| a | 10.74 ± 0.002 Å |
| b | 18.912 ± 0.004 Å |
| c | 17.163 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3486.1 ± 1.3 Å3 |
| Cell temperature | 294 ± 1 K |
| Ambient diffraction temperature | 294 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.118 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Goodness-of-fit parameter for significantly intense reflections | 2.81 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo-Kα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4327656.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4327656.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
4327656.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327656.cif |
| 61629 | 2012-07-05 | cif/ Adding structures of 4327656 via cif-deposit CGI script. |
4327656.cif |
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