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Information card for entry 1548267
Preview
| Coordinates | 1548267.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H83 B4 F11 N4 O10 S2 |
|---|---|
| Calculated formula | C78 H83 B4 F11 N4 O10 S2 |
| Title of publication | 1,3,2,5-Diazadiborinine featuring nucleophilic and electrophilic boron centres |
| Authors of publication | Di Wu; Lingbing Kong; Yongxin Li; Rakesh Ganguly; Rei Kinjo |
| Journal of publication | Nature Communications |
| Year of publication | 2015 |
| Journal volume | 6 |
| Pages of publication | 7340 |
| a | 10.8994 ± 0.001 Å |
| b | 13.3303 ± 0.0014 Å |
| c | 14.0182 ± 0.0013 Å |
| α | 98.334 ± 0.004° |
| β | 90.656 ± 0.004° |
| γ | 109.608 ± 0.004° |
| Cell volume | 1894.4 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.171 |
| Residual factor for significantly intense reflections | 0.079 |
| Weighted residual factors for significantly intense reflections | 0.173 |
| Weighted residual factors for all reflections included in the refinement | 0.2145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203700 (current) | 2017-11-28 | cif/ Adding structures of 1548267 via cif-deposit CGI script. |
1548267.cif |
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