Information card for entry 4075045

Structure parameters

• Formula: C25 H38 B F4 O2 P2 Rh
• Calculated formula: C25 H38 B F4 O2 P2 Rh
• SMILES: [Rh]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)(Cc1ccccc1)[F][B](F)(F)F
• Title of publication: Exclusive C−C Activation and an Apparent α-H Elimination with a Rhodium Phosphinite Pincer Complex
• Authors of publication: Salem, Hiyam; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2292
• a: 8.106 ± 0.0016 Å
• b: 12.576 ± 0.003 Å
• c: 14.082 ± 0.003 Å
• α: 81.42 ± 0.03°
• β: 80.96 ± 0.03°
• γ: 73.63 ± 0.03°
• Cell volume: 1351.9 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No