Information card for entry 7104778

Structure parameters

• Common name: (dippe)Ir(BPin)3
• Formula: C32 H68 B3 Ir O6 P2
• Calculated formula: C32 H68 B3 Ir O6 P2
• Title of publication: Getting the sterics just right: a five-coordinate iridium trisboryl complex that reacts with C-H bonds at room temperature.
• Authors of publication: Chotana, Ghayoor A; Vanchura, 2nd, Britt A; Tse, Man Kin; Staples, Richard J; Maleczka, Jr, Robert E; Smith, 3rd, Milton R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 38
• Pages of publication: 5731 - 5733
• a: 17.821 ± 0.004 Å
• b: 12.668 ± 0.003 Å
• c: 18.491 ± 0.004 Å
• α: 90°
• β: 104.8 ± 0.03°
• γ: 90°
• Cell volume: 4035.9 ± 1.4 ų
• Cell temperature: 446 ± 2 K
• Ambient diffraction temperature: 446 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0696
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No