Information card for entry 4068766

Structure parameters

• Formula: C105 H140 O P4 Rh2
• Calculated formula: C105 H140 O P4 Rh2
• SMILES: [Rh]123([Rh]4([P](=C5C(=C(C5=[P]4c4c(cc(cc4C(C)(C)C)C(C)(C)C)C(C)(C)C)c4ccccc4)c4ccccc4)c4c(cc(cc4C(C)(C)C)C(C)(C)C)C(C)(C)C)([O]2C)[H]3)[P](=C2C(=C(C2=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis, Structures, and Reactions of Dirhodium Complexes Bearing a 1,2-Diphenyl-3,4-diphosphinidenecyclobutene Ligand (DPCB)
• Authors of publication: Okazaki, Masaaki; Hayashi, Akito; Fu, Ching-Feng; Liu, Shiuh-Tzung; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 902
• a: 15.1401 ± 0.0015 Å
• b: 19.3117 ± 0.0019 Å
• c: 20.181 ± 0.002 Å
• α: 71.572 ± 0.011°
• β: 68.83 ± 0.009°
• γ: 68.024 ± 0.01°
• Cell volume: 4989.6 ± 1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1667
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No