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Information card for entry 8102790
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| Coordinates | 8102790.cif |
|---|---|
| External links | PubChem |
| Chemical name | tris(1,10-phenanthroline)-nickel(ii) bis o-aminobenzenesulfonate ethanol solvate |
|---|---|
| Formula | C50 H42 N8 Ni O7 S2 |
| Calculated formula | C50 H42 N8 Ni O7 S2 |
| Title of publication | Crystal structure of tris(1,10-phenanthroline)nickel(II) bis(o-aminobenzenesulfonate) — ethanol (1:1), [Ni(C12H8N2)3][C6H6NO3S]2 · C2H5OH, at 120 K |
| Authors of publication | Bernard Tinant; François Robert; Yann Garcia |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 3 |
| Pages of publication | 546 |
| a | 11.709 ± 0.002 Å |
| b | 13.2 ± 0.005 Å |
| c | 15.544 ± 0.003 Å |
| α | 71.7° |
| β | 74.52° |
| γ | 71.69° |
| Cell volume | 2127.4 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0572 |
| Weighted residual factors for significantly intense reflections | 0.1516 |
| Weighted residual factors for all reflections included in the refinement | 0.1549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71069 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. |
8102790.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. |
8102790.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102790.cif |
| 13529 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102790 via cif-deposit CGI script. |
8102790.cif |
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