Information card for entry 7050275

Structure parameters

• Common name: (Cd(IIMB)2Cl2)-H2O
• Chemical name: [Cd(IIMB)2Cl2]-H2O
• Formula: C26 H26 Cd Cl2 N8 O
• Calculated formula: C26 H26 Cd Cl2 N8 O
• 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: 8.898 ± 0.0005 Å
• b: 12.7568 ± 0.0005 Å
• c: 14.3176 ± 0.0003 Å
• α: 63.556 ± 0.002°
• β: 80.625 ± 0.002°
• γ: 70.607 ± 0.002°
• Cell volume: 1372.37 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No