Information card for entry 4310006

Structure parameters

• Formula: C44 H42 O8 P2 Rh2
• Calculated formula: C44 H42 O8 P2 Rh2
• SMILES: [Rh]1234([Rh]([P](c5c4cccc5)(c4ccccc4)c4ccccc4)([O]=C(O2)C)(OC(=[O]3)C)([O]=C(O)C)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)[O]=C(O)C
• Title of publication: Chiral Organometallic Triangles with Rh-Rh Bonds. 2. Compounds Prepared from Enantiopure cis-Rh2(C6H4PPh2)2(OAc)2(HOAc)2 and Their Catalytic Potentials
• Authors of publication: F. Albert Cotton; Carlos A. Murillo; Salah E. Stiriba; Xiaoping Wang; Rongmin Yu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8223 - 8233
• a: 12.6777 ± 0.0009 Å
• b: 18.3677 ± 0.0013 Å
• c: 18.1451 ± 0.0012 Å
• α: 90°
• β: 94.648 ± 0.001°
• γ: 90°
• Cell volume: 4211.4 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No