Information card for entry 4083848

Structure parameters

• Formula: C35 H40 B Co F9 N2 P2
• Calculated formula: C35 H40 B Co F9 N2 P2
• SMILES: [Co]12345([P]6(C(C)(C)C)CN(c7ccccc7)C[P]1(C(C)(C)C)CN(c1ccccc1)C6)[c]1([cH]2[cH]3[cH]4[cH]51)c1c(F)c(F)c(F)c(F)c1F.[B](F)(F)(F)[F-]
• 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: 8.272 ± 0.002 Å
• b: 10.327 ± 0.003 Å
• c: 20.825 ± 0.006 Å
• α: 76.569 ± 0.017°
• β: 81.969 ± 0.016°
• γ: 76.613 ± 0.017°
• Cell volume: 1676.3 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2684
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No