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Information card for entry 7129387
Preview
| Coordinates | 7129387.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H58 B10 N2 O4 |
|---|---|
| Calculated formula | C22 H58 B10 N2 O4 |
| Title of publication | [closo-B10H8-1,10-(COOH)2]2-: A building block for functional materials? |
| Authors of publication | Kapuscinski, Szymon; Hietsoi, Oleksandr; Pietrzak, Anna; Friedli, Andrienne C.; Kaszynski, Piotr |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 16.45359 ± 0.00006 Å |
| b | 10.53655 ± 0.00005 Å |
| c | 18.37001 ± 0.00007 Å |
| α | 90° |
| β | 97.1637 ± 0.0004° |
| γ | 90° |
| Cell volume | 3159.84 ± 0.02 Å3 |
| Cell temperature | 100 ± 0.11 K |
| Ambient diffraction temperature | 100 ± 0.11 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0545 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1446 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271447 (current) | 2021-12-16 | cif/ Adding structures of 7129384, 7129385, 7129386, 7129387 via cif-deposit CGI script. |
7129387.cif |
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Users of the data should acknowledge the original authors of the
structural data.