Information card for entry 2205928

Structure parameters

• Chemical name: catena-Poly[[aquacadmium(II)]bis(μ-4,5-diphenyl-1H-imidazole-1-acetate- κ^3^N:O,O')]
• Formula: C34 H28 Cd N4 O5
• Calculated formula: C34 H28 Cd N4 O5
• SMILES: [Cd]12([OH2])[n]3cn(c(c3c3ccccc3)c3ccccc3)CC3=[O][Cd]4(O3)([n]3cn(c(c3c3ccccc3)c3ccccc3)CC(=[O]1)O2)(OC(=[O]4)Cn1cnc(c1c1ccccc1)c1ccccc1)([n]1cn(c(c1c1ccccc1)c1ccccc1)CC(=O)[O-])[OH2]
• Title of publication: <i>catena</i>-Poly[[aquacadmium(II)]bis(μ-4,5-diphenyl-1<i>H</i>-imidazole-1-acetate)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>,<i>O</i>':<i>N</i>]
• Authors of publication: Gao, Shan; Liu, Ji-Wei; Huo, Li-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1012 - m1014
• a: 15.096 ± 0.003 Å
• b: 6.1108 ± 0.0012 Å
• c: 32.164 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2967.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes