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Information card for entry 8102232
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| Coordinates | 8102232.cif |
|---|
| Chemical name | bis(tetraphenylphosphonium) tetrakis(ethane-1,2-dithiolato)trinickelate(II) ethane-1,2-dithiole solvate |
|---|---|
| Formula | C60 H68 Ni3 P2 S12 |
| Calculated formula | C60 H68 Ni3 P2 S12 |
| Title of publication | Crystal structure of bis(tetraphenylphosphonium) tetrakis(ethane-1,2-dithiolato)trinickelate(II) ethane-1,2-dithiole solvate, [(C6H5)4P]2[Ni3(SCH2CH2S)4)] · 2HSC2H4SH |
| Authors of publication | Martin Köckerling; Gerald Henkel |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 1 |
| Pages of publication | 102 |
| a | 9.671 ± 0.003 Å |
| b | 14.086 ± 0.004 Å |
| c | 14.091 ± 0.004 Å |
| α | 113.27 ± 0.02° |
| β | 102.75 ± 0.02° |
| γ | 104.52 ± 0.02° |
| Cell volume | 1592.9 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0518 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1253 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
8102232.cif |
| 108108 | 2014-03-27 | cif/8/ (antanas@lokys.ibt.lt) Removing some extra characters introduced while converting CIF's from one encoding into the other. |
8102232.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102232.cif |
| 12971 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102232 via cif-deposit CGI script. |
8102232.cif |
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