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Information card for entry 1568382
Preview
| Coordinates | 1568382.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H64 B F24 Fe N3 O2 P2 |
|---|---|
| Calculated formula | C60 H63 B F24 Fe N3 O2 P2 |
| Title of publication | Large changes in hydricity as a function of charge and not metal in (PNP)M–H (de)hydrogenation catalysts that undergo metal–ligand cooperativity |
| Authors of publication | Schlenker, Kevin; Casselman, Lillee K.; VanderLinden, Ryan T.; Saouma, Caroline T. |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1358 - 1368 |
| a | 13.6976 ± 0.0006 Å |
| b | 23.8148 ± 0.0012 Å |
| c | 20.2227 ± 0.0008 Å |
| α | 90° |
| β | 98.742 ± 0.002° |
| γ | 90° |
| Cell volume | 6520.1 ± 0.5 Å3 |
| Cell temperature | 117 ± 2 K |
| Ambient diffraction temperature | 117 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.1019 |
| Residual factor for significantly intense reflections | 0.0828 |
| Weighted residual factors for significantly intense reflections | 0.1636 |
| Weighted residual factors for all reflections included in the refinement | 0.1725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282244 (current) | 2023-04-04 | cif/ Updating files of 1568382, 1568383 Original log message: Adding full bibliography for 1568382--1568383.cif. |
1568382.cif |
| 280770 | 2023-02-03 | cif/ Adding structures of 1568382, 1568383 via cif-deposit CGI script. |
1568382.cif |
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Users of the data should acknowledge the original authors of the
structural data.