Information card for entry 7055896

Structure parameters

• Formula: C68 H42 Cl2 Cu3 N8 O18
• Calculated formula: C68 H42 Cl2 Cu3 N8 O18
• Title of publication: Synthesis of several novel coordination complexes: ion exchange, magnetic and photocatalytic studies
• Authors of publication: Li, Huijun; Wang, Yuan; He, Yaling; Xu, Zhouqing; Zhao, Xiaolei; Han, Yi
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1046
• a: 13.981 ± 0.002 Å
• b: 13.594 ± 0.002 Å
• c: 30.578 ± 0.005 Å
• α: 90°
• β: 93.477 ± 0.003°
• γ: 90°
• Cell volume: 5800.9 ± 1.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No