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Information card for entry 7714135
Preview
| Coordinates | 7714135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H99 B3 Cu3 N6 |
|---|---|
| Calculated formula | C76 H99 B3 Cu3 N6 |
| Title of publication | Filling the gap with a bulky diaryl boron group: fluorinated and non-fluorinated copper pyrazolates fitted with a dimesityl boron moiety on the backbone |
| Authors of publication | Vanga, Mukundam; Diroll, Benjamin T.; Muñoz-Castro, Alvaro; Dias, Rasika |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 13.9999 ± 0.0005 Å |
| b | 16.143 ± 0.0005 Å |
| c | 17.2755 ± 0.0006 Å |
| α | 109.624 ± 0.002° |
| β | 93.285 ± 0.002° |
| γ | 105.508 ± 0.002° |
| Cell volume | 3496.8 ± 0.2 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1078 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286834 (current) | 2023-10-07 | cif/ Adding structures of 7714134, 7714135 via cif-deposit CGI script. |
7714135.cif |
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Users of the data should acknowledge the original authors of the
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