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CIF Information Card
Information card for 2000099
2000098 << 2000099 >> 2000100Preview
|
Coordinates |
2000099.cif |
Structure parameters
| Formula | - C94.5 H96.5 B2 N6.5 Ni2 O7 S2 - |
| Calculated formula | - C97 H82 B2 N6.5 Ni2 O4.5 S2 - |
| Title of publication | Paramagnetic NMR Investigations of High-Spin Nickel(II) Complexes. Controlled Synthesis, Structural, Electronic, and Magnetic Properties of Dinuclear vs Mononuclear Species |
| Authors of publication | Catherine Belle; Catherine Bougault; Marie-Thérèse Averbuch; André Durif; Jean-Louis Pierre; Jean-Marc Latour; Laurent Le Pape |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2001 |
| Journal volume | 123 |
| Journal issue | 33 |
| Pages of publication | 8053 - 8066 |
| a | 18.128 ± 0.007 Å |
| b | 20.224 ± 0.007 Å |
| c | 26.221 ± 0.009 Å |
| α | 101.3 ± 0.02° |
| β | 104.07 ± 0.02° |
| γ | 102.37 ± 0.02° |
| Cell volume | 8790.67 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for observed reflections | 0.0576 |
| Weighted residual factors for the observed reflections | 0.0576 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |