Information card for entry 7050274

Structure parameters

• Common name: (Cd(IIMB)2(H2O)(SO4))-7.5H2O
• Chemical name: [Cd(IIMB)2(H2O)(SO4)]-7.5H2O
• Formula: C26 H41 Cd N8 O12.5 S
• Calculated formula: C26 H32 Cd N8 O12.5 S
• 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: 19.5212 ± 0.0013 Å
• b: 13.7568 ± 0.0011 Å
• c: 26.832 ± 0.002 Å
• α: 90°
• β: 111.705 ± 0.003°
• γ: 90°
• Cell volume: 6694.8 ± 0.9 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No