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Information card for entry 4333327
Preview
| Coordinates | 4333327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | [Ru(η^5^-C~5~H~5~)(η^6^-C~6~H~5~F)][B{C~6~H~3~(CF~3~)~2~}~4~] |
|---|---|
| Chemical name | pentahapto-cyclopentadienil-hexahapto-fluorbencene-ruthenium(II) tetrakis{3,5-bis(trifluoromethyl)phenyl}borate |
| Formula | C43 H22 B F25 Ru |
| Calculated formula | C43 H22 B F25 Ru |
| Title of publication | Coordinatively Unsaturated Semisandwich Complexes of Ruthenium with Phosphinoamine Ligands and Related Species: A Complex Containing (R,R)-1,2-Bis((diisopropylphosphino)amino)cyclohexane in a New Coordination Form κ3P,P‘,N-η2-P,N |
| Authors of publication | Palacios, M. Dolores; Puerta, M. Carmen; Valerga, Pedro; Lledós, Agustí; Veilly, Edouard |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 6958 - 6967 |
| a | 12.943 ± 0.003 Å |
| b | 13.232 ± 0.003 Å |
| c | 14.614 ± 0.003 Å |
| α | 92.57 ± 0.03° |
| β | 90.22 ± 0.03° |
| γ | 118.7 ± 0.03° |
| Cell volume | 2192.2 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0656 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1307 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4333327.cif |
| 179436 | 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 4/33/33. |
4333327.cif |
| 98932 | 2014-01-30 | cif/ Adding structures of 4333324, 4333325, 4333326, 4333327 via cif-deposit CGI script. |
4333327.cif |
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