Information card for entry 7050277

Structure parameters

• Common name: (Cd(IIMB)(OAc)2)-H2O
• Chemical name: {Cd(IIMB)(OAc)2]-H2O
• Formula: C17 H20 Cd N4 O5
• Calculated formula: C17 H20 Cd N4 O5
• Title of publication: Syntheses and Crystal Structures of 1D Tabular Chain and 2D Polycatenane Built from Asymmetric 1-(1-Imidazolyl)-4-(imidazol-1-ylmethyl)benzene Ligand with Metal Salts
• Authors of publication: Sun Wei-Yin; Jian Fan; Taka-aki Okamura; Norikazu Ueyama; Wei Zhao; Hui-Fang Zhu
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2004
• a: 8.828 ± 0.0004 Å
• b: 9.2669 ± 0.0003 Å
• c: 23.8138 ± 0.0009 Å
• α: 90°
• β: 91.6407 ± 0.0013°
• γ: 90°
• Cell volume: 1947.37 ± 0.13 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No