Information card for entry 4067813

Structure parameters

• Formula: C56 H86 B F4 N6 Ni P4
• Calculated formula: C56 H86 B F4 N6 Ni P4
• 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: 13.4155 ± 0.0015 Å
• b: 13.7624 ± 0.0015 Å
• c: 19.175 ± 0.002 Å
• α: 86.22 ± 0.003°
• β: 70.099 ± 0.003°
• γ: 77.714 ± 0.003°
• Cell volume: 3252.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1207
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2735
• Weighted residual factors for all reflections included in the refinement: 0.2999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No