Information card for entry 4345453

Structure parameters

• Formula: C20 H40 Cl3 Cu K O10
• Calculated formula: C20 H40 Cl3 Cu K O10
• Title of publication: Reversible Single-Crystal-to-Single-Crystal Transformation and Magnetic Change of Nonporous Copper(II) Complexes by the Chemisorption/Desorption of HCl and H2O.
• Authors of publication: Cai, Li-Zhen; Jiang, Xiao-Ming; Zhang, Zhang-Jing; Guo, Pei-Yu; Jin, Ai-Ping; Wang, Ming-Sheng; Guo, Guo-Cong
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 1036 - 1040
• a: 9.0971 ± 0.0005 Å
• b: 28.246 ± 0.002 Å
• c: 11.8204 ± 0.0009 Å
• α: 90°
• β: 103.434 ± 0.007°
• γ: 90°
• Cell volume: 2954.2 ± 0.4 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.149
• Residual factor for significantly intense reflections: 0.1087
• Weighted residual factors for significantly intense reflections: 0.2958
• Weighted residual factors for all reflections included in the refinement: 0.3261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No