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Information card for entry 8104954
Preview
| Coordinates | 8104954.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H44 B2 Cu N12 |
|---|---|
| Calculated formula | C30 H44 B2 Cu N12 |
| Title of publication | Redetermination of the crystal structure of bis{hydridotris(3,5-dimethylpyrazol-1-yl-κN 3)borato}copper(II), C30H44B2CuN12 |
| Authors of publication | Fujisawa, Kiyoshi; Okamura, Moemi; Tiekink, Edward R. T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 1 |
| Pages of publication | 33 - 36 |
| a | 8.6801 ± 0.0001 Å |
| b | 10.1688 ± 0.0002 Å |
| c | 10.729 ± 0.0002 Å |
| α | 62.672 ± 0.002° |
| β | 84.355 ± 0.001° |
| γ | 78.97 ± 0.001° |
| Cell volume | 825.71 ± 0.03 Å3 |
| Cell temperature | 178 ± 2 K |
| Ambient diffraction temperature | 178 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0957 |
| Weighted residual factors for all reflections included in the refinement | 0.0961 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274117 (current) | 2022-03-30 | cif/ Adding structures of 8104954 via cif-deposit CGI script. |
8104954.cif |
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Users of the data should acknowledge the original authors of the
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