Information card for entry 4068767

Structure parameters

• Formula: C61 H80 O4 P2 Rh2
• Calculated formula: C61 H80 O4 P2 Rh2
• SMILES: [Rh]12([Rh]34([P]1([C]14C(=C([C]3=1P2c1c(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)(C#[O])C#[O])(C#[O])C#[O].CCCCC
• 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: 12.783 ± 0.004 Å
• b: 23.929 ± 0.007 Å
• c: 18.804 ± 0.006 Å
• α: 90°
• β: 97.609 ± 0.005°
• γ: 90°
• Cell volume: 5701 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No