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CIF Information Card
Information card for 1100741
1100740 << 1100741 >> 1100742Preview
|
Coordinates |
1100741.cif |
Structure parameters
| Common name | (PPh4)2 Ni(midt)2 CH3CN |
| Formula | - C58 H45 N3 Ni O4 P2 S4 - |
| Calculated formula | - C58 H45 N3 Ni O4 P2 S4 - |
| Title of publication | A Straightforward Synthesis of Diverse Nickel Dithiolene Complexes Appended with Hydrogen-Bond Donor/Acceptor Groups |
| Authors of publication | Stéphane A. Baudron; Narcis Avarvari; Patrick Batail |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3380 - 3382 |
| a | 13.0034 ± 0.0012 Å |
| b | 18.3544 ± 0.0014 Å |
| c | 22.048 ± 0.002 Å |
| α | 90° |
| β | 93.924 ± 0.011° |
| γ | 90° |
| Cell volume | 5249.9 ± 0.8 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.067 |
| Residual factor for observed reflections | 0.0291 |
| Weighted residual factors for the observed reflections | 0.0488 |
| Weighted residual factors for all reflections included in the refinement | 0.0585 |
| Goodness-of-fit parameter for observed reflections | 0.711 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |