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Information card for entry 4086704
Preview
| Coordinates | 4086704.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H78 O8 P2 Rh2 |
|---|---|
| Calculated formula | C44 H78 O8 P2 Rh2 |
| SMILES | [Rh]1234([Rh]([P](C5CCCCC5)(C5CCCCC5)C5CCCCC5)([O]=C(O2)C)(OC(=[O]3)C)([O]=C(O1)C)OC(=[O]4)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1 |
| Title of publication | Axial Tri-tert-butylphosphane Coordination to Rh2(OAc)4: Synthesis, Structure, and Catalytic Studies |
| Authors of publication | Tan, Jiantao; Kuang, Yi; Wang, Yi; Huang, Qingfei; Zhu, Jin; Wang, Yuanhua |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 18 |
| Pages of publication | 3139 |
| a | 11.3382 ± 0.0003 Å |
| b | 14.2991 ± 0.0004 Å |
| c | 16.3895 ± 0.0007 Å |
| α | 68.778 ± 0.003° |
| β | 79.737 ± 0.003° |
| γ | 83.183 ± 0.002° |
| Cell volume | 2433.08 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0481 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086704.cif |
| 186935 | 2016-10-05 | cif/ Adding structures of 4086703, 4086704 via cif-deposit CGI script. |
4086704.cif |
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Users of the data should acknowledge the original authors of the
structural data.