Information card for entry 7219088

Structure parameters

• Formula: C20 H18 Cu N6 O5
• Calculated formula: C20 H17 Cu N6 O5
• Title of publication: A series of variable coordination polymers based on flexible aromatic carboxylates
• Authors of publication: Yang, Jian; Xie, Gui-Dan; Chen, Xue-Fei; Wu, Duo; Lin, Xiao-Ming; Zhang, Gang; Cai, Yue-Peng
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1326
• a: 23.034 ± 0.008 Å
• b: 9.401 ± 0.003 Å
• c: 9.582 ± 0.003 Å
• α: 90°
• β: 104.962 ± 0.004°
• γ: 90°
• Cell volume: 2004.6 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No