Information card for entry 8102700

Structure parameters

• Chemical name: diaqua-bis(imidazole-4-carboxylato)copper(II) dihydrate
• Formula: C8 H14 Cu N4 O8
• Calculated formula: C8 H14 Cu N4 O8
• Title of publication: Crystal structure of diaquabis(imidazole-4-carboxylato)copper(II) dihydrate, Cu(H2O)2(C4H3N2O2)2 · 2H2O
• Authors of publication: Wu Chen; Xinyan Hao; Huoqing Wang; Yuguang Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 399
• a: 7.6635 ± 0.0002 Å
• b: 12.8556 ± 0.0003 Å
• c: 6.8608 ± 0.0002 Å
• α: 90°
• β: 101.19 ± 0.001°
• γ: 90°
• Cell volume: 663.07 ± 0.03 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1519
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No