Information card for entry 2205818

Structure parameters

• Chemical name: tetrakis(μ-6-ammoniohexanoato-1kO:2κO')bis[chlorocopper(II)] dichloride tetrahydrate
• Formula: C24 H60 Cl4 Cu2 N4 O12
• Calculated formula: C24 H60 Cl4 Cu2 N4 O12
• SMILES: [NH3+]CCCCCC1=[O][Cu]234(Cl)[Cu](Cl)([O]=C(CCCCC[NH3+])O3)(OC(CCCCC[NH3+])=[O]2)([O]=C(CCCCC[NH3+])O4)O1.O.O.[Cl-].O.O.[Cl-]
• Title of publication: Tetrakis(μ-6-ammoniohexanoato-1κ<i>O</i>:2κ<i>O</i>')bis[chlorocopper(II)] dichloride tetrahydrate
• Authors of publication: Lah, Nina; Leban, Ivan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m835 - m837
• a: 9.4122 ± 0.0001 Å
• b: 12.1852 ± 0.0002 Å
• c: 17.5851 ± 0.0002 Å
• α: 90°
• β: 105.44 ± 0.0006°
• γ: 90°
• Cell volume: 1944.04 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.066
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes