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CIF Information Card
Information card for 1100744
1100743 << 1100744 >> 1100745Preview
|
Coordinates |
1100744.cif |
Structure parameters
| Common name | (n-Bu4N)[Ni(mant)2] |
| Formula | - C40 H76 N6 Ni O2 S4 - |
| Calculated formula | - C40 H76 N6 Ni O2 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 | 9.1252 ± 0.0017 Å |
| b | 11.804 ± 0.003 Å |
| c | 12.478 ± 0.003 Å |
| α | 70.09 ± 0.03° |
| β | 77.79 ± 0.02° |
| γ | 76.68 ± 0.03° |
| Cell volume | 1216.7 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1528 |
| Residual factor for observed reflections | 0.0414 |
| Weighted residual factors for the observed reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for observed reflections | 0.592 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |