Information card for entry 4083846

Structure parameters

• Formula: C29 H41 Co N2 P2
• Calculated formula: C29 H41 Co N2 P2
• SMILES: [Co]12345([P]6(C(C)(C)C)CN(c7ccccc7)C[P]1(C(C)(C)C)CN(c1ccccc1)C6)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Cobalt Complexes Containing Pendant Amines in the Second Coordination Sphere as Electrocatalysts for H2Production
• Authors of publication: Fang, Ming; Wiedner, Eric S.; Dougherty, William G.; Kassel, W. Scott; Liu, Tianbiao; DuBois, Daniel L.; Bullock, R. Morris
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5820
• a: 10.2108 ± 0.0005 Å
• b: 11.0407 ± 0.0006 Å
• c: 12.5959 ± 0.0006 Å
• α: 70.379 ± 0.002°
• β: 78.975 ± 0.002°
• γ: 88.437 ± 0.002°
• Cell volume: 1311.8 ± 0.12 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: 0.0686
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No