Information card for entry 7040684

Structure parameters

• Formula: C31 H42 N2 O4 P Rh
• Calculated formula: C31 H42 N2 O4 P Rh
• SMILES: [Rh](C#[O])(C#[O])(=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)OP(=O)(C)C
• 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: 10.524 ± 0.0014 Å
• b: 15.865 ± 0.002 Å
• c: 19.108 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3190.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No