Information card for entry 8106150

Structure parameters

• Formula: C31 H22 Cl2 Cu N4 O2
• Calculated formula: C31 H22 Cl2 Cu N4 O2
• Title of publication: Crystal structure of (5Z,10Z)-3,13-dichloro-17,18-dioxo-5,11-diphenyl-8,9,17,18-tetrahydro-7H-dibenzo[e,n][1,4,8,12]tetraazacyclopentadecine-16,19-diido-κ4 N,N′,N′′,N′′′)copper(II), C31H22N4O2Cl2Cu
• Authors of publication: Chen, Shi-Jun; Li, Shi-Hui; Huang, Yao; Liu, Bin; Xiong, Ting-Song; Cui, Jun; Shen, Xiao-Shuang; Chen, Deng-Qian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 3
• Pages of publication: 353 - 354
• a: 6.869 ± 0.002 Å
• b: 18.535 ± 0.007 Å
• c: 21.199 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2699 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No