Information card for entry 7040683

Structure parameters

• Formula: C20 H36 O4 P2 Rh2
• Calculated formula: C20 H36 O4 P2 Rh2
• SMILES: [Rh]1234([O]=P(O[Rh]567(OP(=[O]1)(C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1)(C)C)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Dimethylphosphinate bridged binuclear Rh(i) catalysts for the alkoxycarbonylation of aromatic C-H bonds.
• Authors of publication: Iturmendi, Amaia; Sanz Miguel, Pablo J.; Popoola, Saheed A.; Al-Saadi, Abdulaziz A; Iglesias, Manuel; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16955 - 16965
• a: 9.537 ± 0.0015 Å
• b: 9.7552 ± 0.0015 Å
• c: 14.656 ± 0.002 Å
• α: 103.267 ± 0.002°
• β: 95.938 ± 0.002°
• γ: 117.358 ± 0.002°
• Cell volume: 1143.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No