Information card for entry 2227140

Structure parameters

• Chemical name: μ-Adipato-bis[chlorido(2,2':6',2''-terpyridine)copper(II)] tetrahydrate
• Formula: C36 H38 Cl2 Cu2 N6 O8
• Calculated formula: C36 H38 Cl2 Cu2 N6 O8
• SMILES: Cl[Cu]12([n]3c(c4cccc[n]24)cccc3c2[n]1cccc2)OC(=O)CCCCC(=O)O[Cu]12(Cl)[n]3ccccc3c3cccc([n]13)c1[n]2cccc1.O.O.O.O
• Title of publication: μ-Adipato-bis[chlorido(2,2':6',2''-terpyridine)copper(II)] tetrahydrate
• Authors of publication: Xie, Hong-Zhen; Zhang, Yan-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m934
• a: 8.2334 ± 0.0016 Å
• b: 9.5678 ± 0.0019 Å
• c: 11.548 ± 0.002 Å
• α: 83.42 ± 0.03°
• β: 81.69 ± 0.03°
• γ: 84.38 ± 0.03°
• Cell volume: 891.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0274
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes