Information card for entry 4066320

Structure parameters

• Formula: C30 H45 B2 Co F8 N5 P2
• Calculated formula: C30 H45 B2 Co F8 N5 P2
• Title of publication: Comparison of Cobalt and Nickel Complexes with Sterically Demanding Cyclic Diphosphine Ligands: Electrocatalytic H2Production by [Co(PtBu2NPh2)(CH3CN)3](BF4)2†
• Authors of publication: Wiedner, Eric S.; Yang, Jenny Y.; Dougherty, William G.; Kassel, W. Scott; Bullock, R. Morris; DuBois, M. Rakowski; DuBois, Daniel L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5390
• a: 10.8564 ± 0.0011 Å
• b: 22.783 ± 0.002 Å
• c: 14.3551 ± 0.0015 Å
• α: 90°
• β: 94.948 ± 0.002°
• γ: 90°
• Cell volume: 3537.4 ± 0.6 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: 0.0678
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No