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Information card for entry 4126396
Preview
| Coordinates | 4126396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H64 B11 Cl2 Cu N4 O Si2 |
|---|---|
| Calculated formula | C36 H64 B11 Cl2 Cu N4 O Si2 |
| Title of publication | Synthesis, Structure and Reactivity of a Borylene Cation [(NHSi)2B(CO)]+ Stabilized by Three Neutral Ligands. |
| Authors of publication | Wang, Hao; Wu, Linlin; Lin, Zhenyang; Xie, Zuowei |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 16.832 ± 0.0008 Å |
| b | 19.0753 ± 0.0009 Å |
| c | 17.8224 ± 0.0009 Å |
| α | 90° |
| β | 94.3906 ± 0.0015° |
| γ | 90° |
| Cell volume | 5705.5 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1326 |
| Residual factor for significantly intense reflections | 0.0857 |
| Weighted residual factors for significantly intense reflections | 0.2609 |
| Weighted residual factors for all reflections included in the refinement | 0.2901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200849 (current) | 2017-09-14 | cif/ Adding structures of 4126396 via cif-deposit CGI script. |
4126396.cif |
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