Information card for entry 4123901

Structure parameters

• Formula: C60 H65 N4 P4 Rh
• Calculated formula: C60 H65 N4 P4 Rh
• SMILES: [RhH]12([P]3(c4ccccc4)CN(Cc4ccccc4)C[P]1(c1ccccc1)CN(Cc1ccccc1)C3)[P]1(c3ccccc3)CN(Cc3ccccc3)C[P]2(c2ccccc2)CN(Cc2ccccc2)C1
• Title of publication: Incorporation of Pendant Bases into Rh(diphosphine)2 Complexes: Synthesis, Thermodynamic Studies, And Catalytic CO2 Hydrogenation Activity of [Rh(P2N2)2](+) Complexes.
• Authors of publication: Lilio, Alyssia M.; Reineke, Mark H.; Moore, Curtis E.; Rheingold, Arnold L.; Takase, Michael K.; Kubiak, Clifford P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 25
• Pages of publication: 8251 - 8260
• a: 10.0163 ± 0.0007 Å
• b: 14.2416 ± 0.0009 Å
• c: 18.7726 ± 0.0012 Å
• α: 96.498 ± 0.002°
• β: 90.811 ± 0.003°
• γ: 100.226 ± 0.003°
• Cell volume: 2616.8 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No