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Information card for entry 4511985
Preview
| Coordinates | 4511985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Rh(PNMeP)(OTf)2 |
|---|---|
| Formula | C55 H54 F3 N2 O3 P4 Rh S |
| Calculated formula | C55 H54 F3 N2 O3 P4 Rh S |
| Title of publication | The Influence of the Second and Outer Coordination Spheres on Rh(diphosphine)2 CO2 Hydrogenation Catalysts |
| Authors of publication | Bays, John Timothy; Priyadarshani, Nilusha; Jeletic, Matthew S.; Hulley, Elliot B.; Miller, Deanna L.; Linehan, John C.; Shaw, Wendy J. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2014 |
| Pages of publication | 140903144432009 |
| a | 11.1175 ± 0.001 Å |
| b | 13.2349 ± 0.0011 Å |
| c | 18.044 ± 0.0016 Å |
| α | 93.743 ± 0.004° |
| β | 95.848 ± 0.005° |
| γ | 109.218 ± 0.004° |
| Cell volume | 2480.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0643 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0771 |
| Weighted residual factors for all reflections included in the refinement | 0.0851 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4511985.cif |
| 179666 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19. |
4511985.cif |
| 124008 | 2014-09-19 | cif/ Adding structures of 4511983, 4511984, 4511985 via cif-deposit CGI script. |
4511985.cif |
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Users of the data should acknowledge the original authors of the
structural data.