Information card for entry 7215032

Structure parameters

• Formula: C20 H18 Cu2 N4 O16
• Calculated formula: C20 H18 Cu2 N4 O16
• SMILES: [N]12[Cu]3([OH2])OC4c5c(C(=O)N[N]=4[Cu]3(OC=1c1c(C(=O)N2)cc(c(c1)C(=O)O)C(=O)O)[OH2])cc(c(c5)C(=O)O)C(=O)O.O.O
• Title of publication: A series of coordination polymers constructed from in situ amidation ligands: syntheses, structures and luminescent properties
• Authors of publication: Yu, Xiao-Yang; Cui, Xiao-Bing; Yang, Jia-Jun; Zhang, Jian-Po; Luo, Yu-Hui; Zhang, Hong; Gao, Wei-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 4719
• a: 6.6226 ± 0.0013 Å
• b: 9.657 ± 0.0019 Å
• c: 9.752 ± 0.002 Å
• α: 95.92 ± 0.03°
• β: 108.9 ± 0.03°
• γ: 94.26 ± 0.03°
• Cell volume: 583.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1242
• 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