Information card for entry 4324948

Structure parameters

• Chemical name: Bis(8-dimethylphosphinoquinoline)copper(I) Hexafluorophosphate
• Formula: C22 H24 Cu F6 N2 P3
• Calculated formula: C22 H24 Cu F6 N2 P3
• SMILES: [Cu]12([P](c3cccc4ccc[n]1c34)(C)C)[P](C)(C)c1cccc3c1[n]2ccc3.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Orange and Yellow Crystals of Copper(I) Complexes Bearing 8-(Diphenylphosphino)quinoline: A Pair of Distortion Isomers of an Intrinsic Tetrahedral Complex
• Authors of publication: Takayoshi Suzuki; Hiroshi Yamaguchi; Akira Hashimoto; Koichi Nozaki; Mototsugu Doi; Naoya Inazumi; Noriaki Ikeda; Satoshi Kawata; Masaaki Kojima; Hideo D. Takagi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3981 - 3987
• a: 9.762 ± 0.007 Å
• b: 27.08 ± 0.02 Å
• c: 9.651 ± 0.008 Å
• α: 90°
• β: 92.42 ± 0.07°
• γ: 90°
• Cell volume: 2549 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0979
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No