Information card for entry 4078461

Structure parameters

• Formula: C64.68 H68.7 B Cl1.32 O3 P4 Rh
• Calculated formula: C64.68 H68.7 B Cl1.32 O3 P4 Rh
• Title of publication: Synthesis of Iridaboratranes Bearing Phosphine-Tethered Borane: Reversible CO/PR3(R = Me, OMe, OEt) Substitution Reactions Induced by a σ-Electron-Acceptor Borane Ligand
• Authors of publication: Kameo, Hajime; Hashimoto, Yasuhiro; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 11
• Pages of publication: 4251
• a: 12.0555 ± 0.0011 Å
• b: 12.11 ± 0.0011 Å
• c: 21.2356 ± 0.0018 Å
• α: 98.422 ± 0.003°
• β: 94.531 ± 0.004°
• γ: 106.692 ± 0.004°
• Cell volume: 2913.5 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0911
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No