Information card for entry 7218343

Structure parameters

• Chemical name: 4,4-methylene dianiline copper chloride
• Formula: C53 H66 Cl12 Cu N8
• Calculated formula: C53.002 H66.004 Cl12.004 Cu N8
• Title of publication: A second sphere coordination adduct containing one-dimensional water/methanol channels: X-ray structures, thermal stability and single crystal impedance spectroscopy analysis
• Authors of publication: Li, Lei; Maddalena, Francesco; Oliveros, Malena; Caironi, Mario; Guo, Fang; Martí-Rujas, Javier
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 10888
• a: 9.3862 ± 0.0016 Å
• b: 13.686 ± 0.002 Å
• c: 13.827 ± 0.002 Å
• α: 60.772 ± 0.011°
• β: 85.924 ± 0.013°
• γ: 85.375 ± 0.014°
• Cell volume: 1544 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1912
• Residual factor for significantly intense reflections: 0.1499
• Weighted residual factors for significantly intense reflections: 0.3867
• Weighted residual factors for all reflections included in the refinement: 0.4092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.524
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No