Information card for entry 7200680

Structure parameters

• Formula: C124 H324 Br12 Cl12 Cu16 N48 O70
• Calculated formula: C124 H324 Br12 Cl12 Cu16 N48 O70
• 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: 14.1105 ± 0.0008 Å
• b: 18.4033 ± 0.001 Å
• c: 21.9209 ± 0.0013 Å
• α: 90°
• β: 100.058 ± 0.001°
• γ: 90°
• Cell volume: 5604.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No