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Information card for entry 8102351
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| Coordinates | 8102351.cif |
|---|---|
| External links | PubChem |
| Formula | C30 H32 Co N12 O6 S2 |
|---|---|
| Calculated formula | C30 H32 Co N12 O6 S2 |
| Title of publication | Crystal structure of hexaimidazolecobalt(II) 4,4'-biphenyldisulfonate, [Co(C3H4N2)6][C12H8S2O6] |
| Authors of publication | Ping Liu; Zhen Liu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 4 |
| Pages of publication | 501 |
| a | 8.833 ± 0.003 Å |
| b | 9.312 ± 0.003 Å |
| c | 11.649 ± 0.004 Å |
| α | 102.962 ± 0.005° |
| β | 93.114 ± 0.005° |
| γ | 108.059 ± 0.005° |
| Cell volume | 879.8 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102351.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102351.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. |
8102351.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102351.cif |
| 13090 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102351 via cif-deposit CGI script. |
8102351.cif |
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Users of the data should acknowledge the original authors of the
structural data.