Information card for entry 7050883

Structure parameters

• Formula: C40 H28 Cu N4 O4
• Calculated formula: C40 H28 Cu N4 O4
• SMILES: [Cu]1([n]2cccc3ccc4c([n]1ccc4)c23)(OC(=O)Cn1c2ccccc2c2ccccc12)OC(=O)Cn1c2ccccc2c2ccccc12
• Title of publication: Structural diversity and properties of a series of dinuclear and mononuclear copper(ii) and copper(i) carboxylato complexes
• Authors of publication: Tian, Yu-Peng; Zhang, Xuan-Jun; Wu, Jie-Ying; Fun, Hoong-Kun; Jiang, Min-Hua; Xu, Zhi-Qiang; Usman, Anwar; Chantrapromma, Suchada; Thompson, Laurence K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1468
• a: 16.1794 ± 0.0001 Å
• b: 24.1843 ± 0.0001 Å
• c: 16.4207 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6425.21 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No