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Information card for entry 7134734
Preview
| Coordinates | 7134734.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H164 B3 Cl2 N8 |
|---|---|
| Calculated formula | C104 H164.003 B3 Cl2 N8 |
| 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 | 14.1177 ± 0.0009 Å |
| b | 18.5164 ± 0.0013 Å |
| c | 20.8008 ± 0.0014 Å |
| α | 90° |
| β | 104.244 ± 0.005° |
| γ | 90° |
| Cell volume | 5270.3 ± 0.6 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.1178 |
| Residual factor for significantly intense reflections | 0.0907 |
| Weighted residual factors for significantly intense reflections | 0.2581 |
| Weighted residual factors for all reflections included in the refinement | 0.2905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| 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. |
7134734.cif |
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Users of the data should acknowledge the original authors of the
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