Information card for entry 4066323

Structure parameters

• Formula: C30 H46 B2 F8 N4 Ni P2
• Calculated formula: C30 H46 B2 F8 N4 Ni 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: 11.4437 ± 0.0002 Å
• b: 16.1666 ± 0.0002 Å
• c: 19.2126 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3554.44 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No