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Information card for entry 8103202
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| Coordinates | 8103202.cif |
|---|---|
| External links | PubChem |
| Formula | C30 H32 N12 Ni O6 S2 |
|---|---|
| Calculated formula | C30 H32 N12 Ni O6 S2 |
| Title of publication | Crystal structure of hexaimidazolenickel(II) 4,4'-biphenyldisulfonate, [Ni(C3H4N2)6][C12H8S2O6] |
| Authors of publication | Ping Liu; Shihui Li; Zhen Liu; Zhiling Feng; Xiaojing Sun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 4 |
| Pages of publication | 511 |
| a | 8.829 ± 0.003 Å |
| b | 9.303 ± 0.003 Å |
| c | 11.601 ± 0.004 Å |
| α | 103.129 ± 0.005° |
| β | 92.989 ± 0.005° |
| γ | 108.096 ± 0.005° |
| Cell volume | 874.3 ± 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 | 0.0346 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0776 |
| Weighted residual factors for all reflections included in the refinement | 0.0821 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| 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. |
8103202.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. |
8103202.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. |
8103202.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103202.cif |
| 32544 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103202 via cif-deposit CGI script. |
8103202.cif |
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Users of the data should acknowledge the original authors of the
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