Information card for entry 4088846

Structure parameters

• Chemical name: meso-1-benzhydryl-3,7-dicyclohexyl-1,3,7-azadiphosphocane
• Formula: C30 H43 N P2
• Calculated formula: C30 H43 N P2
• SMILES: C1CP(CN(C(c2ccccc2)c2ccccc2)CP(C1)C1CCCCC1)C1CCCCC1
• Title of publication: Nickel Bis-Diphosphine Complexes: Controlling the Binding and Heterolysis of H2
• Authors of publication: Stolley, Ryan M.; Darmon, Jonathan M.; Das, Parthapratim; Helm, Monte L.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 17
• Pages of publication: 2965
• a: 5.6899 ± 0.0003 Å
• b: 25.685 ± 0.0012 Å
• c: 9.5148 ± 0.0004 Å
• α: 90°
• β: 107.034 ± 0.002°
• γ: 90°
• Cell volume: 1329.54 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0558
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No