Information card for entry 8103346

Structure parameters

• Formula: C18 H20 Cu N4 O7
• Calculated formula: C18 H20 Cu N4 O7
• Title of publication: Crystal structure of catena-aqua(m-bis(2-(1-imidazolyl)ethyl)ether-N:N')(m-5-hydroxybenzene-1,3- dicarboxylato-O:O')copper(II), Cu(C8O5H4)(C10H14ON4)(H2O)
• Authors of publication: Daocheng Xia; Jingxia Ma; Xiuying Ma; Jihuan Yao; Xuqing Yang; Qingyang Liu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 241
• a: 21.659 ± 0.0004 Å
• b: 11.0123 ± 0.0003 Å
• c: 16.923 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4036.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.719
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No