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Information card for entry 8103178
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| Coordinates | 8103178.cif |
|---|---|
| External links | PubChem |
| Chemical name | bis[bisaqua-bis(2,2'-bipyridine) nickel(ii)]- (9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonate dinitrate dihydrate |
|---|---|
| Formula | C54 H50 N10 Ni2 O20 S2 |
| Calculated formula | C54 H50 N10 Ni2 O20 S2 |
| Title of publication | Crystal structure of bis[bisaqua-bis(2,2'-bipyridine)-nickel(II)](9,10-dioxo-9,10-anthracene-2,6-disulfonate) dinitrate dihydrate, [Ni(H2O)2(C10H8N2)2]2[C14H6S2O8][NO3]2 · 2H2O |
| Authors of publication | Zhaoxun Lian; Ning Zhao; Fengxia Yang; Ping Liu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2011 |
| Journal volume | 226 |
| Journal issue | 3 |
| Pages of publication | 425 |
| a | 9.6994 ± 0.0002 Å |
| b | 25.2194 ± 0.0004 Å |
| c | 11.2571 ± 0.0002 Å |
| α | 90° |
| β | 93.788 ± 0.002° |
| γ | 90° |
| Cell volume | 2747.62 ± 0.09 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1541 |
| Weighted residual factors for all reflections included in the refinement | 0.161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
8103178.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. |
8103178.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103178.cif |
| 29185 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 8103178 via cif-deposit CGI script. |
8103178.cif |
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