Information card for entry 7009677

Structure parameters

• Formula: C24 H30 Cl2 Co F6 P5
• Calculated formula: C24 H30 Cl2 Co F6 P5
• SMILES: [Co]123(Cl)(Cl)[P](C)(C)c4ccccc4[P]1(C)c1ccccc1[P]2(C)c1ccccc1[P]3(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Completely stereoselective synthesis of a chiral tetra(tertiary phosphine). Crystal and molecular structure of [OC-6-22-(R*,R*)]-(±)-dichloro{1,2-bis[(2-dimethylphosphinophenyl)methylphosphino]benzene-P,P ',P ″,P ‴}cobalt(III) hexafluorophosphate †
• Authors of publication: Chatterjee, Swarup; Doyle, Roy; Hockless, David C. R.; Salem, Geoffrey; Willis, Anthony C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 12
• Pages of publication: 1829
• a: 12.63 ± 0.004 Å
• b: 19.034 ± 0.004 Å
• c: 12.745 ± 0.004 Å
• α: 90°
• β: 95.75 ± 0.02°
• γ: 90°
• Cell volume: 3048.5 ± 1.5 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections: 1.6
• Goodness-of-fit parameter for all reflections included in the refinement: 1.887
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No