Information card for entry 8102715

Structure parameters

• Formula: C22 H20 Br4 Co N2 O2
• Calculated formula: C22 H20 Br4 Co N2 O2
• SMILES: [Co]12([N](=Cc3c(O1)c(Br)cc(Br)c3)C1CCC1)[N](=Cc1c(O2)c(Br)cc(Br)c1)C1CCC1
• Title of publication: Crystal structure of monoaquabis(imidazole)-bis(4-methoxybenzoato)copper(II), Cu(H2O)(C8H7O3)2(C3N2H4)2
• Authors of publication: Yingjie Cai; Xia Zhou; Zhen Gui; Yuguang Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 361
• a: 8.0879 ± 0.0011 Å
• b: 12.2991 ± 0.0019 Å
• c: 12.796 ± 0.0017 Å
• α: 93.166 ± 0.008°
• β: 108.219 ± 0.007°
• γ: 95.718 ± 0.008°
• Cell volume: 1198 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No