Information card for entry 4310013

Structure parameters

• Common name: {S,S,S-[Rh6(Ph2P(C6H4))6(C2O4)3Py5MeOH]} {S,S,S-[Rh6(Ph2P(C6H4))6(C2O4)3Py4.5MeOH1.5]}, 4(CH2Cl2),3.0MeOH
• Formula: C285 H245.5 Cl8 N9.5 O29.5 P12 Rh12
• Calculated formula: C285 H239 Cl8 N9.5 O29.5 P12 Rh12
• 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: 13.4 ± 0.0005 Å
• b: 53.8819 ± 0.0019 Å
• c: 18.2036 ± 0.0006 Å
• α: 90°
• β: 90.048 ± 0.001°
• γ: 90°
• Cell volume: 13143.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0496
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No