Information card for entry 2014712

Structure parameters

• Chemical name: Aquachloro(2,2'-bi-1H-imidazole)copper(II) chloro(iminodiacetato)copper(II) monohydrate
• Formula: C10 H15 Cl2 Cu2 N5 O6
• Calculated formula: C10 H15 Cl2 Cu2 N5 O6
• SMILES: [Cu]1(Cl)([OH2])[n]2cc[nH]c2c2[n]1cc[nH]2.[Cu]12(Cl)OC(=O)C[NH]2CC(=O)O1.O
• Title of publication: Aqua(2,2'-bi-1<i>H</i>-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate
• Authors of publication: Gao, Xiao-Li; Wei, Yi-Bin; Li, Yan-Ping; Yang, Pin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: m10 - m12
• a: 6.7053 ± 0.0018 Å
• b: 8.823 ± 0.002 Å
• c: 14.547 ± 0.004 Å
• α: 90.272 ± 0.003°
• β: 101.316 ± 0.003°
• γ: 103.116 ± 0.004°
• Cell volume: 820.8 ± 0.4 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: 0.0505
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes