Information card for entry 8103076

Structure parameters

• Formula: C54 H44 Cl2 Cu2 N2 P2
• Calculated formula: C54 H44 Cl2 Cu2 N2 P2
• Title of publication: Crystal structure of bis(triphenylphospine-κP)bis(m-chloro-κCl) bis(isoquinoline-kN)copper(I), [CuCl(PC18H15)(i-C9H7N)]2
• Authors of publication: Jian-Bao Li; Ye-Lan Xiao; Man-Hua Wu; Yu-Han Jiang; Qiong-Hua Jin; Cun-Lin Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 97
• a: 27.87 ± 0.002 Å
• b: 9.906 ± 0.001 Å
• c: 18.5951 ± 0.0017 Å
• α: 90°
• β: 115.719 ± 0.002°
• γ: 90°
• Cell volume: 4625.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No