Information card for entry 4078460

Structure parameters

• Formula: C59 H56 B Cl4 O3 P4 Rh
• Calculated formula: C59 H56 B Cl4 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: 11.792 ± 0.004 Å
• b: 11.898 ± 0.004 Å
• c: 20.843 ± 0.007 Å
• α: 96.44 ± 0.003°
• β: 100.189 ± 0.003°
• γ: 105.176 ± 0.004°
• Cell volume: 2738.9 ± 1.6 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: 0.1199
• Residual factor for significantly intense reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No