Information card for entry 2223382

Structure parameters

• Chemical name: Diaquabis[2-(4-bromophenyl)acetato]bis(<i>N</i>^4^,<i>N</i>^4^- dimethylpyridin-4-amine)copper(II)
• Formula: C30 H36 Br2 Cu N4 O6
• Calculated formula: C30 H36 Br2 Cu N4 O6
• SMILES: c1(ccc(Br)cc1)CC(=O)O[Cu]([n]1ccc(cc1)N(C)C)([OH2])([n]1ccc(N(C)C)cc1)(OC(=O)Cc1ccc(cc1)Br)[OH2]
• Title of publication: Diaquabis[2-(4-bromophenyl)acetato]bis(<i>N</i>^4^,<i>N</i>^4^-dimethylpyridin-4-amine)copper(II)
• Authors of publication: Cui, Yong-Ming; Dai, Xi-Bin; Zha, Ru-Hua; Zeng, Qing-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1163
• a: 10.4792 ± 0.001 Å
• b: 6.1059 ± 0.0006 Å
• c: 25.45 ± 0.002 Å
• α: 90°
• β: 100.958 ± 0.004°
• γ: 90°
• Cell volume: 1598.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0493
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes