Information card for entry 7200683

Structure parameters

• Formula: C7 H18 Cl2 Cu N3 O4
• Calculated formula: C7 H18 Cl2 Cu N3 O4
• Title of publication: Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties
• Authors of publication: Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 671
• a: 7.145 ± 0.0014 Å
• b: 13.486 ± 0.003 Å
• c: 14.077 ± 0.003 Å
• α: 90°
• β: 98.77 ± 0.02°
• γ: 90°
• Cell volume: 1340.6 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No