Information card for entry 4068765

Structure parameters

• Common name: complex 5
• Formula: C108 H148 O2 P4 Rh2
• Calculated formula: C108 H147 O2 P4 Rh2
• SMILES: [Rh]123([P](=C4C(=C(C4=[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)O[Rh]12([H]3)[P](=C2C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=C2c1ccccc1)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C.O(CC)CC
• 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: 15.134 ± 0.004 Å
• b: 19.251 ± 0.006 Å
• c: 20.244 ± 0.006 Å
• α: 71.59 ± 0.02°
• β: 67.53 ± 0.02°
• γ: 68.04 ± 0.02°
• Cell volume: 4951 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1573
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No