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Information card for entry 7134733
Preview
| Coordinates | 7134733.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C218.75 H318 B6 Mg3 N48 O6 |
|---|---|
| Calculated formula | C218.75 H317.998 B6 Mg3 N48 O6 |
| 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 | 41.4755 ± 0.0004 Å |
| b | 41.4755 ± 0.0004 Å |
| c | 11.7891 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 17562.8 ± 0.4 Å3 |
| Cell temperature | 173.15 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0967 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.2312 |
| Weighted residual factors for all reflections included in the refinement | 0.2603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| 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. |
7134733.cif |
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