Information card for entry 8103108

Structure parameters

• Chemical name: (1,4-bis((1H-imidazol-1-yl)methyl)benzene(5-hydroxyisophthalato) cadmium (II)
• Formula: C22 H20 Cd N4 O6
• Calculated formula: C22 H20 Cd N4 O6
• Title of publication: Crystal structure of aqua[1,4-bis((1H-imidazol-1-yl)methyl)benzene]-(5-hydroxyisophthalato)cadmium(II), Cd(H2O)(C14H14N4)(C8H4O5)
• Authors of publication: Dao-Cheng Xia; Ji-Huan Yao; Wen-Chan Zhang; Ren-Qiang Huang; Xu-Qing Yang; Jing-Jing Jing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 1
• Pages of publication: 17
• a: 11.5679 ± 0.0005 Å
• b: 8.425 ± 0.0003 Å
• c: 11.6371 ± 0.0004 Å
• α: 90°
• β: 113.39 ± 0.005°
• γ: 90°
• Cell volume: 1040.95 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No