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Information card for entry 4126516
Preview
| Coordinates | 4126516.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H100 Ga2 N4 O P6 |
|---|---|
| Calculated formula | C72 H100 Ga2 N4 O P6 |
| Title of publication | Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus. |
| Authors of publication | Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| a | 13.2249 ± 0.0002 Å |
| b | 15.7757 ± 0.0002 Å |
| c | 18.2072 ± 0.0003 Å |
| α | 89.6385 ± 0.0011° |
| β | 68.9491 ± 0.0014° |
| γ | 88.0122 ± 0.0012° |
| Cell volume | 3542.88 ± 0.1 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0591 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1375 |
| Weighted residual factors for all reflections included in the refinement | 0.1375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.33 |
| 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 |
|---|---|---|---|
| 201607 (current) | 2017-10-04 | cif/ Adding structures of 4126516 via cif-deposit CGI script. |
4126516.cif |
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