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CIF Information Card
Information card for 1100745
1100744 << 1100745 >> 1100746Preview
|
Coordinates |
1100745.cif |
Structure parameters
| Common name | (n-Bu4N)2[Ni(mant)2] |
| Formula | - C32 H24 N4 Ni O2 P S4 - |
| Calculated formula | - C32 H24 N4 Ni O2 P 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 | 10.1114 ± 0.0016 Å |
| b | 13.1679 ± 0.0017 Å |
| c | 14.002 ± 0.002 Å |
| α | 72.019 ± 0.016° |
| β | 70.639 ± 0.017° |
| γ | 77.02 ± 0.017° |
| Cell volume | 1657.4 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.1752 |
| Residual factor for observed reflections | 0.0515 |
| Weighted residual factors for the observed reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for observed reflections | 0.728 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |