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Information card for entry 4345981
Preview
| Coordinates | 4345981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H72 B12 F36 O12 |
|---|---|
| Calculated formula | C96 H72 B12 F36 O12 |
| Title of publication | Rapid Synthesis of Redox-Active Dodecaborane B12(OR)12 Clusters Under Ambient Conditions |
| Authors of publication | Alex I. Wixtrom; Yanwu Shao; Dahee Jung; Charles W. Machan; Shaunt N. Kevork; Elaine A. Qian; Jonathan C. Axtell; Saeed I. Khan; Clifford P. Kubiak; Alexander M. Spokoyny |
| Journal of publication | Inorganic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Pages of publication | 711 - 717 |
| a | 15.9651 ± 0.0003 Å |
| b | 41.731 ± 0.0008 Å |
| c | 21.9084 ± 0.0004 Å |
| α | 90° |
| β | 92.985 ± 0.001° |
| γ | 90° |
| Cell volume | 14576.4 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1108 |
| Residual factor for significantly intense reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.1973 |
| Weighted residual factors for all reflections included in the refinement | 0.2129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205224 (current) | 2018-01-15 | cif/ Adding structures of 4345981 via cif-deposit CGI script. |
4345981.cif |
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Users of the data should acknowledge the original authors of the
structural data.