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CIF Information Card
Information card for 1100906
1100905 << 1100906 >> 1100907Preview
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Coordinates |
1100906.cif |
Structure parameters
| Chemical name | Intra- and Intermolecular C-H...\p interactions in Bis(fluorenedithiocarbazato)Nickel(II) |
| Formula | - C42 H30 N4 Ni S4 - |
| Calculated formula | - C42 H30 N4 Ni S4 - |
| Title of publication | Intra- and intermolecular C—H...π interactions in bis[benzyl 3-(fluoren-9-ylidene)dithiocarbazato-N^3^,S]nickel(II) |
| Authors of publication | Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Wu, Ji; Tian, Yu-Peng; Xie, Fu-Xin; Shao, Ze-Huai; Li, Sheng-Li |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Pages of publication | 1321 - 1322 |
| a | 8.9463 ± 0.0001 Å |
| b | 21.7605 ± 0.0001 Å |
| c | 19.0038 ± 0.0002 Å |
| α | 90° |
| β | 100.69 ± 0.001° |
| γ | 90° |
| Cell volume | 3635.38 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.082 |
| Residual factor for observed reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.111 |
| Goodness-of-fit parameter for observed reflections | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |