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Information card for entry 7134731
Preview
| Coordinates | 7134731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C69 H102 B2 Cl2 N16 |
|---|---|
| Calculated formula | C69 H101.994 B2 Cl2 N16 |
| Title of publication | Development of electronically tuneable N-heterocyclic borates. |
| Authors of publication | Huerfano, I. J.; Gorobets, Evgueni; Zhou, Wen; Piers, Warren E.; Van Humbeck, Jeffrey F.; Derksen, Darren J. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2025 |
| a | 7.6519 ± 0.0002 Å |
| b | 18.4389 ± 0.0004 Å |
| c | 28.0176 ± 0.0007 Å |
| α | 90° |
| β | 95.393 ± 0.002° |
| γ | 90° |
| Cell volume | 3935.58 ± 0.17 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1131 |
| Residual factor for significantly intense reflections | 0.0846 |
| Weighted residual factors for significantly intense reflections | 0.2261 |
| Weighted residual factors for all reflections included in the refinement | 0.2568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300120 (current) | 2025-06-19 | cif/ Adding structures of 7134731, 7134732, 7134733, 7134734 via cif-deposit CGI script. |
7134731.cif |
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Users of the data should acknowledge the original authors of the
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