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CIF Information Card
Information card for 1100765
1100764 << 1100765 >> 1100766Preview
|
Coordinates |
1100765.cif |
Structure parameters
| Formula | - C20 H25 B N6 S2 Zn - |
| Calculated formula | - C20 H25 B 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 | 9.392 ± 0.004 Å |
| b | 12.838 ± 0.005 Å |
| c | 19.134 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2307.1 ± 1.6 Å3 |
| Cell temperature | 230 ± 2 K |
| Ambient diffraction temperature | 230 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0451 |
| Residual factor for observed reflections | 0.0333 |
| Weighted residual factors for the observed reflections | 0.0719 |
| Weighted residual factors for all reflections included in the refinement | 0.0777 |
| Goodness-of-fit parameter for observed reflections | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |