Information card for entry 8102702

Structure parameters

• Chemical name: dikis(imidazole)monoaqua-bis(4-methoxybenzoato)-copper(II)
• Formula: C22 H24 Cu N4 O7
• Calculated formula: C22 H24 Cu N4 O7
• SMILES: [Cu]1([n]2c[nH]cc2)([n]2c[nH]cc2)([O]=C(O1)c1ccc(OC)cc1)(OC(=O)c1ccc(OC)cc1)[OH2]
• 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: 24.731 ± 0.003 Å
• b: 7.8377 ± 0.0009 Å
• c: 24.844 ± 0.003 Å
• α: 90°
• β: 93.742 ± 0.005°
• γ: 90°
• Cell volume: 4805.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No