Information card for entry 4123899

Structure parameters

• Formula: C56 H81 N4 P4 Rh
• Calculated formula: C56 H81 N4 P4 Rh
• SMILES: [RhH]12([P]3(CN(C[P]1(CN(C3)c1ccccc1)C1CCCCC1)c1ccccc1)C1CCCCC1)[P]1(CN(C[P]2(CN(C1)c1ccccc1)C1CCCCC1)c1ccccc1)C1CCCCC1
• 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: 22.764 ± 0.0007 Å
• b: 22.764 ± 0.0007 Å
• c: 20.1397 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10436.4 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No