Information card for entry 2219085

Structure parameters

• Chemical name: Hexaaquacopper(II) dichloride bis(hexamethylenetetramine) tetrahydrate
• Formula: C12 H44 Cl2 Cu N8 O10
• Calculated formula: C12 H44 Cl2 Cu N8 O10
• SMILES: C1N2CN3CN(CN1C3)C2.[OH2][Cu]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.[Cl-].C1N2CN3CN(CN1C3)C2.O.O.[Cl-]
• Title of publication: Hexaaquacopper(II) dichloride bis(hexamethylenetetramine) tetrahydrate
• Authors of publication: Li, Zhan Lin; Yao, Xin Jian; Wu, Wen; Xuan, Ya Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1024
• a: 9.321 ± 0.003 Å
• b: 9.3923 ± 0.0016 Å
• c: 9.4261 ± 0.0016 Å
• α: 119.523 ± 0.002°
• β: 94.153 ± 0.003°
• γ: 101.065 ± 0.003°
• Cell volume: 691.1 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0538
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes