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CIF Information Card
Information card for 1100769
1100768 << 1100769 >> 1100770Preview
|
Coordinates |
1100769.cif |
Structure parameters
| Formula | - C18 H20 B Cl N6 S2 Zn - |
| Calculated formula | - C18 H20 B Cl N6 S2 Zn - |
| Title of publication | Zinc-Thiolate Complexes of the Bis(pyrazolyl)(thioimidazolyl)hydroborate Tripods for the Modeling of Thiolate Alkylating Enzymes |
| Authors of publication | Mian Ji; Boumahdi Benkmil; Heinrich Vahrenkamp |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 3518 - 3523 |
| a | 20.688 ± 0.004 Å |
| b | 8.5506 ± 0.0017 Å |
| c | 25.364 ± 0.005 Å |
| α | 90° |
| β | 100.111 ± 0.004° |
| γ | 90° |
| Cell volume | 4417.1 ± 1.5 Å3 |
| Cell temperature | 245 ± 2 K |
| Ambient diffraction temperature | 245 ± 2 K |
| Number of distinct elements | 7 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0631 |
| Residual factor for observed reflections | 0.0351 |
| Weighted residual factors for the observed reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for observed reflections | 0.892 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |