Information card for entry 4083849

Structure parameters

• Formula: C36 H41.5 Co F5 N2.5 P2
• Calculated formula: C36 H41.5 Co F5 N2.5 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.N#CC
• 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: 14.1542 ± 0.0005 Å
• b: 15.3241 ± 0.0005 Å
• c: 16.4079 ± 0.0005 Å
• α: 83.782 ± 0.001°
• β: 75.999 ± 0.001°
• γ: 73.191 ± 0.001°
• Cell volume: 3302.79 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No