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Information card for entry 8103250
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| Coordinates | 8103250.cif |
|---|
| Formula | C18 H24 Co N10 O2 S4 |
|---|---|
| Calculated formula | C18 H24 Co N10 O2 S4 |
| Title of publication | Crystal structure of bis(biimidazole-?2N,N')-bis(isothiocyanato-?N)cobalt(II) — dimethylsulfoxide (1:2), Co(C6H6N4)2(NCS)2 • 2C2H6SO |
| Authors of publication | Qi-Ming Qiu; Yu-Heng Deng; Jing-Jing Sun; Wei Yang; Qiong-Hua Jin; Cun-Lin Zhang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 4 |
| Pages of publication | 625 |
| a | 8.0209 ± 0.0011 Å |
| b | 16.12 ± 0.002 Å |
| c | 10.4796 ± 0.0015 Å |
| α | 90° |
| β | 90.903 ± 0.001° |
| γ | 90° |
| Cell volume | 1354.8 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.2002 |
| Weighted residual factors for all reflections included in the refinement | 0.2161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8103250.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103250.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
8103250.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103250.cif |
| 32592 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103250 via cif-deposit CGI script. |
8103250.cif |
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Users of the data should acknowledge the original authors of the
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