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Information card for entry 7134732
Preview
| Coordinates | 7134732.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H109 B N5 P |
|---|---|
| Calculated formula | C64 H109 B N5 P |
| 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 | 12.1405 ± 0.0016 Å |
| b | 27.056 ± 0.004 Å |
| c | 20.237 ± 0.003 Å |
| α | 90° |
| β | 95.591 ± 0.008° |
| γ | 90° |
| Cell volume | 6615.7 ± 1.6 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1214 |
| Residual factor for significantly intense reflections | 0.1031 |
| Weighted residual factors for significantly intense reflections | 0.2582 |
| Weighted residual factors for all reflections included in the refinement | 0.2831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| 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. |
7134732.cif |
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Users of the data should acknowledge the original authors of the
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