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Information card for entry 4336349
Preview
| Coordinates | 4336349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C63 H61 F6 O2 P5 Ru |
|---|---|
| Calculated formula | C63 H61 F6 O2 P5 Ru |
| SMILES | c1(ccccc1C)[P@@]1(c2ccccc2)CC[P@@](c2ccccc2C)(c2ccccc2)[Ru]231([O]=C(c1ccccc1)O2)[P@](c1ccccc1C)(c1ccccc1)CC[P@@]3(c1ccccc1C)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Chiral Induction at Octahedral Ru(II) via the Disassembly of Diruthenium(II,III) Tetracarboxylates Using a Variety of Chiral Diphosphine Ligands |
| Authors of publication | Brandon R. Groves; D. Ian Arbuckle; Ernest Essoun; Travis L. Lundrigan; Ruiyao Wang; Manuel A.S. Aquino |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 11563 - 11572 |
| a | 14.3816 ± 0.0003 Å |
| b | 20.1066 ± 0.0003 Å |
| c | 19.2514 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5566.83 ± 0.17 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.021 |
| Residual factor for significantly intense reflections | 0.0202 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4336349.cif |
| 179466 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/63. |
4336349.cif |
| 102327 | 2014-02-19 | cif/ Adding structures of 4336349 via cif-deposit CGI script. |
4336349.cif |
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Users of the data should acknowledge the original authors of the
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