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Information card for entry 7209100
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| Coordinates | 7209100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | carbonatobis(1,10-phenanthroline)cobalt(iii) 2-chloro-4- nitrobenzoate.pentahydrate |
|---|---|
| Chemical name | carbonatobis(1,10-phenanthroline)cobalt(III) 2-chloro-4-nitrobenzoate.pentahydrate |
| Formula | C32 H29 Cl Co N5 O12 |
| Calculated formula | C32 H25 Cl Co N5 O12 |
| Title of publication | Water-mediated supramolecular architecture of Co(iii)‒phenanthroline complexes: organizational control to 2D-layers and 3D-square cavities through substituted aryl carboxylate anions |
| Authors of publication | Singh, Ajnesh; Sharma, Raj P.; Aree, Thammarat; Venugopalan, Paloth |
| Journal of publication | CrystEngComm |
| Year of publication | 2013 |
| Journal volume | 15 |
| Journal issue | 6 |
| Pages of publication | 1153 |
| a | 10.317 ± 0.002 Å |
| b | 12.688 ± 0.003 Å |
| c | 13.277 ± 0.003 Å |
| α | 76.71 ± 0.03° |
| β | 79.98 ± 0.03° |
| γ | 88.97 ± 0.03° |
| Cell volume | 1665.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0435 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1361 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180422 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/91. |
7209100.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 {}' |
7209100.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7209100.cif |
| 73585 | 2013-02-20 | cif/ Adding structures of 7209099, 7209100, 7209101, 7209102, 7209103, 7209104, 7209105, 7209106 via cif-deposit CGI script. |
7209100.cif |
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