Information card for entry 8103308

Structure parameters

• Formula: C36 H43 Cd N3 O9
• Calculated formula: C36 H41 Cd N3 O9
• Title of publication: Crystal structure of aqua(biphenylethene-4,4'-dicarboxylato-kO)-(1,12,15-triaza-3,4:9,10-dibenzo-5,8-dioxacyclo- heptadecane-k4N,N',N'',O8)cadmium(II)] — water (1:2), Cd(H2O)(C16H10O4)(C20H27N3O2) · 2H2O
• Authors of publication: Hong-Ye Bai; Jian-Fang Ma
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 271
• a: 10.823 ± 0.004 Å
• b: 11.516 ± 0.005 Å
• c: 14.557 ± 0.005 Å
• α: 101.831 ± 0.014°
• β: 100.875 ± 0.016°
• γ: 96.084 ± 0.018°
• Cell volume: 1724 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No