Information card for entry 7010428

Structure parameters

• Formula: C55 H45 N Ni O P2 S Se2
• Calculated formula: C55 H45 N Ni O P2 S Se2
• Title of publication: Distorted square planar nickel(II) carbonyl complexes containing terminal thiolate/selenolate ligands
• Authors of publication: Liaw, Wen-Feng; Chen, Chien-Hong; Lee, Chien-Ming; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 138
• a: 10.114 ± 0.003 Å
• b: 15.504 ± 0.003 Å
• c: 16.402 ± 0.003 Å
• α: 73.35 ± 0.02°
• β: 87.06 ± 0.02°
• γ: 87.5 ± 0.02°
• Cell volume: 2459.8 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.2318
• Residual factor for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections: 0.1923
• Weighted residual factors for significantly intense reflections: 0.1619
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.561
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No