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Information card for entry 1558895
Preview
| Coordinates | 1558895.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C87 H85 B Cr F24 N4 O3 P2 |
|---|---|
| Calculated formula | C87 H85 B Cr F24 N4 O3 P2 |
| Title of publication | Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium |
| Authors of publication | Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| a | 12.5935 ± 0.0003 Å |
| b | 16.7577 ± 0.0004 Å |
| c | 21.329 ± 0.0005 Å |
| α | 95.414 ± 0.001° |
| β | 99.551 ± 0.001° |
| γ | 92.236 ± 0.001° |
| Cell volume | 4412.18 ± 0.18 Å3 |
| Cell temperature | 135 ± 2 K |
| Ambient diffraction temperature | 135 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0601 |
| Residual factor for significantly intense reflections | 0.0434 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255569 (current) | 2020-08-22 | cif/ Adding structures of 1558894, 1558895 via cif-deposit CGI script. |
1558895.cif |
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