Information card for entry 4067814

Structure parameters

• Formula: C74 H111 B1.5 Co1.5 F6 N7 P6
• Calculated formula: C74 H111 B1.5 Co1.5 F6 N7 P6
• Title of publication: Stabilization of Nickel Complexes with Ni0···H‒N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands
• Authors of publication: Wiedner, Eric S.; Yang, Jenny Y.; Chen, Shentan; Raugei, Simone; Dougherty, William G.; Kassel, W. Scott; Helm, Monte L.; Bullock, R. Morris; Rakowski DuBois, M.; DuBois, Daniel L.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 144
• a: 14.876 ± 0.004 Å
• b: 11.517 ± 0.003 Å
• c: 43.545 ± 0.012 Å
• α: 90°
• β: 91.718 ± 0.007°
• γ: 90°
• Cell volume: 7457 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1575
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No