Information card for entry 4326192

Structure parameters

• Formula: C55 H64 F12 N14 Ni3 O P2
• Calculated formula: C55 H64 F12 N14 Ni3 O 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: 18.6917 ± 0.0018 Å
• b: 15.609 ± 0.0015 Å
• c: 22.973 ± 0.002 Å
• α: 90°
• β: 102.553 ± 0.001°
• γ: 90°
• Cell volume: 6542.4 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2275
• Residual factor for significantly intense reflections: 0.1214
• Weighted residual factors for significantly intense reflections: 0.3083
• Weighted residual factors for all reflections included in the refinement: 0.4136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No