Information card for entry 7050276

Structure parameters

• Common name: (Cd(IIMB)4(H2O)2)(NO3)2-5(H2O)
• Chemical name: [Cd(IIMB)4(H2O)2](NO3)2-5(H2O)
• Formula: C52 H62 Cd N18 O13
• Calculated formula: C52 H48 Cd N18 O13
• 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: 29.0122 ± 0.0009 Å
• b: 12.1985 ± 0.0004 Å
• c: 16.5499 ± 0.0006 Å
• α: 90°
• β: 104.885 ± 0.0008°
• γ: 90°
• Cell volume: 5660.6 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 0.855
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No