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Information card for entry 8103206
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| Coordinates | 8103206.cif |
|---|---|
| External links | PubChem |
| Formula | C19 H26 N6 Ni O10 S2 |
|---|---|
| Calculated formula | C19 H26 N6 Ni O10 S2 |
| Title of publication | Crystal structure of triaquatriimidazolenickel(II) naphthalene-2,6-disulfonate monohydrate, [Co(C3H4N2)3(H2O)3][C10H6S2O6] • H2O |
| Authors of publication | Yonghua Zhang; Ping 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 | 513 |
| a | 8.499 ± 0.002 Å |
| b | 12.759 ± 0.003 Å |
| c | 13.122 ± 0.004 Å |
| α | 96.316 ± 0.004° |
| β | 98.315 ± 0.004° |
| γ | 109.229 ± 0.004° |
| Cell volume | 1310.4 ± 0.6 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 | 0.0319 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| 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. |
8103206.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. |
8103206.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. |
8103206.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103206.cif |
| 32548 | 2012-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 8103206 via cif-deposit CGI script. |
8103206.cif |
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