Information card for entry 1551790

Structure parameters

• Formula: C44 H56 Cu2 N8 O8
• Calculated formula: C44 H56 Cu2 N8 O8
• SMILES: c1(c(c(C(=O)OCC)n2c1C=[N]1CC[N]3=Cc4c(c(c(C(=O)OCC)n4[Cu]43[N](CC[N]3=Cc5c(c(c(C(=O)OCC)n5[Cu]213)C)C)=Cc1c(C)c(C)c(C(=O)OCC)n41)C)C)C)C
• Title of publication: Crystal Structure of a Copper(II) Complex with 1,2-Bis[3,4-dimethyl-5-ethyloxy-carbonyl-pyrrol-2-yl-methyleneamino]ethane
• Authors of publication: WANG, Yuan; WU, Wei-Na; YANG, Zheng-Yin
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 33
• a: 31.825 ± 0.003 Å
• b: 10.7775 ± 0.0011 Å
• c: 28.265 ± 0.003 Å
• α: 90°
• β: 101.658 ± 0.003°
• γ: 90°
• Cell volume: 9494.7 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No