Information card for entry 4083853

Structure parameters

• Common name: mf26
• Formula: C34 H40 B Co F8 N3 P2
• Calculated formula: C34 H40 B Co F8 N3 P2
• SMILES: [B](F)(F)(F)[F-].[cH]12[cH]3[cH]4[cH]5[c]1(c1c(c(F)nc(c1F)F)F)[Co]12345[P]2(C(C)(C)C)CN(C[P]1(C(C)(C)C)CN(C2)c1ccccc1)c1ccccc1
• 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: 8.2542 ± 0.0004 Å
• b: 38.544 ± 0.002 Å
• c: 10.5136 ± 0.0005 Å
• α: 90°
• β: 99.341 ± 0.003°
• γ: 90°
• Cell volume: 3300.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No