Information card for entry 4326676

Structure parameters

• Formula: C71 H83.5 B2 F8 N6.5 Ni O1.5 P4
• Calculated formula: C62 H67 B2 F8 N5 Ni P4
• Title of publication: Studies of a Series of [Ni(PR2NPh2)2(CH3CN)]2+ Complexes as Electrocatalysts for H2 Production: Substituent Variation at the Phosphorus Atom of the P2N2 Ligand
• Authors of publication: Uriah J. Kilgore; Michael P. Stewart; Monte L. Helm; William G. Dougherty; W. Scott Kassel; Mary Rakowski DuBois; Daniel L. DuBois; R. Morris Bullock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10908 - 10918
• a: 13.7067 ± 0.0006 Å
• b: 15.1081 ± 0.0006 Å
• c: 18.4128 ± 0.0008 Å
• α: 71.022 ± 0.001°
• β: 77.032 ± 0.001°
• γ: 83.325 ± 0.001°
• Cell volume: 3509.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1423
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No