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Information card for entry 4348982
Preview
| Coordinates | 4348982.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H32 B2 Cu2 N12 |
|---|---|
| Calculated formula | C42 H32 B2 Cu2 N12 |
| Title of publication | Mechanochromic Cu(i) boron imidazolate frameworks with low-dimensional structures and reducing function |
| Authors of publication | Zhang, De-Xiang; Zhang, Hai-Xia; Wen, Tian; Li, Dong-Sheng; Zhang, Jian |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 263 |
| a | 10.4075 ± 0.0008 Å |
| b | 11.0056 ± 0.0011 Å |
| c | 18.3138 ± 0.0011 Å |
| α | 76.021 ± 0.007° |
| β | 80.764 ± 0.006° |
| γ | 73.239 ± 0.007° |
| Cell volume | 1939.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1738 |
| Residual factor for significantly intense reflections | 0.0618 |
| Weighted residual factors for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.1223 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.856 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 233525 (current) | 2019-11-23 | cif/ Adding structures of 4348982 via cif-deposit CGI script. |
4348982.cif |
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Users of the data should acknowledge the original authors of the
structural data.