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Information card for entry 1558894
Preview
| Coordinates | 1558894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C112 H151 Cr2 N9 O6 P4 |
|---|---|
| Calculated formula | C112 H150 Cr2 N9 O6 P4 |
| 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 | 25.6854 ± 0.001 Å |
| b | 20.829 ± 0.0009 Å |
| c | 40.6993 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 21774.2 ± 1.6 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.2201 |
| Residual factor for significantly intense reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.1721 |
| Weighted residual factors for all reflections included in the refinement | 0.2301 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.979 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255569 (current) | 2020-08-22 | cif/ Adding structures of 1558894, 1558895 via cif-deposit CGI script. |
1558894.cif |
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