Information card for entry 7110247

Structure parameters

• Common name: [Ni(PCy2NPyridazine2)2]
• Formula: C26 H40 N6 Ni0.5 P2
• Calculated formula: C26 H40 N6 Ni0.5 P2
• Title of publication: A proton channel allows a hydrogen oxidation catalyst to operate at a moderate overpotential with water acting as a base
• Authors of publication: Sheri Lense; Arnab Dutta; John A. S. Roberts; Wendy J. Shaw
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 792
• a: 10.8228 ± 0.0011 Å
• b: 11.4209 ± 0.0012 Å
• c: 24.907 ± 0.002 Å
• α: 91.283 ± 0.005°
• β: 93.181 ± 0.006°
• γ: 117.615 ± 0.006°
• Cell volume: 2719.7 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No