Information card for entry 7009572

Structure parameters

• Formula: C222 H180 Cu6 N6 P12
• Calculated formula: C222 H180 Cu6 N6 P12
• SMILES: c1(ccccc1)[P](c1ccccc1)([Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N]#C[Cu]([N]#C[Cu]([N]#C[Cu]([N]#C[Cu]([N]#C[Cu]([N]#C1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Synthesis and characterization of two copper cyanide complexes with hexagonal Cu6 units
• Authors of publication: Zhao, Yingjun; Hong, Maochun; Su, Weiping; Cao, Rong; Zhou, Zhongyuan; Chan, Albert S. C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1685
• a: 34.402 ± 0.002 Å
• b: 34.402 ± 0.002 Å
• c: 13.7159 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14058 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.1053
• Weighted residual factors for significantly intense reflections: 0.0934
• Goodness-of-fit parameter for all reflections: 1.002
• Goodness-of-fit parameter for significantly intense reflections: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No