Information card for entry 8103307

Structure parameters

• Chemical name: Design of high-dimensional copper(II) malonate complexes with imidazole ligands
• Formula: C12 H16 Cu N4 O10
• Calculated formula: C12 H16 Cu N4 O10
• Title of publication: Crystal structure of copper(II)malonate — water — imidazole (1:2:2), Cu(C3H2O4) · 2H2O · 2C3H4N2
• Authors of publication: Hui Zhang; Yi-Min Feng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 237
• a: 12.29 ± 0.003 Å
• b: 7.7777 ± 0.0016 Å
• c: 9.1004 ± 0.0018 Å
• α: 90°
• β: 101.16 ± 0.03°
• γ: 90°
• Cell volume: 853.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No