Information card for entry 2214326

Structure parameters

• Chemical name: Di-μ-chloro-bis{aqua[5-ethyl-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro- 1H-imidazol-2-yl)nicotinato]copper(II)}
• Formula: C30 H40 Cl2 Cu2 N6 O8
• Calculated formula: C30 H40 Cl2 Cu2 N6 O8
• Title of publication: Di-μ-chlorido-bis{aqua[5-ethyl-2-(5-isopropyl-5-methyl-4-oxo-4,5-dihydro-1<i>H</i>-imidazol-2-yl)nicotinato]copper(II)}
• Authors of publication: Zhao, Yan; Qian, Kun; Tu, Yong-Gang; Li, Jian-Ke; Liu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1972 - m1973
• a: 12.96 ± 0.002 Å
• b: 13.2235 ± 0.0019 Å
• c: 10.4526 ± 0.0016 Å
• α: 90°
• β: 97.012 ± 0.003°
• γ: 90°
• Cell volume: 1777.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes