Information card for entry 4345010

Structure parameters

• Formula: C20 H43 Cl4 Cu K O11
• Calculated formula: C20 H41.816 Cl4 Cu K O11
• 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: 12.9985 ± 0.0005 Å
• b: 14.2479 ± 0.0007 Å
• c: 17.193 ± 0.0007 Å
• α: 90.606 ± 0.004°
• β: 98.018 ± 0.003°
• γ: 100.938 ± 0.004°
• Cell volume: 3093.5 ± 0.2 ų
• Cell temperature: 99.94 ± 0.13 K
• Ambient diffraction temperature: 99.94 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1673
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No