Information card for entry 4326193

Structure parameters

• Formula: C36 H36 F12 N18 Ni3 O2 P2 S0
• Calculated formula: C36 H36.5 F11.96 N18 Ni3 O2.5 P2
• Title of publication: Synthesis and Characterization of Nickel Inverse 9-Metallacrown-3, Palladium-Silver, and Dinuclear Platinum Complexes Containing Pyrazole-Functionalized NHC Ligands
• Authors of publication: Chao Chen; Huayu Qiu; Wanzhi Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8671 - 8678
• a: 12.9966 ± 0.0014 Å
• b: 12.9966 ± 0.0014 Å
• c: 16.4807 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2410.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.16
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2818
• Weighted residual factors for all reflections included in the refinement: 0.3353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No