Information card for entry 4077902

Structure parameters

• Formula: C83 H65 B F24 O P3 Rh
• Calculated formula: C83 H65 B F24 O P3 Rh
• SMILES: [Rh]1234([P](C5C[CH]3=[CH]4C5)(C3CCCC3)C3CCCC3)[P](c3ccccc3[O]2c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(c1ccccc1)c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Rhodium Cyclopentyl Phosphine Complexes of Wide-Bite-Angle Ligands DPEphos and Xantphos
• Authors of publication: Dallanegra, Romaeo; Chaplin, Adrian B.; Weller, Andrew S.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2720
• a: 13.4238 ± 0.0001 Å
• b: 14.2954 ± 0.0001 Å
• c: 20.7081 ± 0.0002 Å
• α: 73.4829 ± 0.0004°
• β: 84.0057 ± 0.0004°
• γ: 83.9868 ± 0.0004°
• Cell volume: 3777.28 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No