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Information card for entry 4088692
Preview
| Coordinates | 4088692.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H24 B9 N |
|---|---|
| Calculated formula | C4 H24 B9 N |
| SMILES | [BH]1234[BH]567[BH]89([BH]%10%116[BH]615[BH]12([BH]2%106[BH]8%11([BH2]12)[H]9)[H]4)[CH2]37.C[NH+](C)C |
| Title of publication | Convenient Route to Monocarba-closo-dodecaborate Anions |
| Authors of publication | Tanaka, Naoki; Shoji, Yoshiaki; Fukushima, Takanori |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 2022 |
| a | 6.4166 ± 0.0005 Å |
| b | 10.3935 ± 0.0008 Å |
| c | 9.5956 ± 0.0007 Å |
| α | 90° |
| β | 100.278 ± 0.001° |
| γ | 90° |
| Cell volume | 629.67 ± 0.08 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0306 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237770 (current) | 2019-11-24 | cif/ Adding structures of 4088692 via cif-deposit CGI script. |
4088692.cif |
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Users of the data should acknowledge the original authors of the
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