Information card for entry 8106989

Structure parameters

• Formula: C38 H34 Cd3 N12 O18
• Calculated formula: C38 H34 Cd3 N12 O18
• Title of publication: Crystal structure of poly[diaquabis(μ4-benzene-1,3,5-tricarboxylato-κO 1,κO 2:κO 3,κO 4:κO 5:κO 6)-bis(μ2-4,4′-benzene-1,3-diylbis(4H-1,2,4-triazole-κ2 N:N′)tricadmium(II)] tetrahydrate, C38H34Cd3N12O18
• Authors of publication: Miao, Shao-Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 729 - 731
• a: 35.076 ± 0.003 Å
• b: 7.5997 ± 0.0007 Å
• c: 18.548 ± 0.0018 Å
• α: 90°
• β: 117.856 ± 0.001°
• γ: 90°
• Cell volume: 4371.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0352
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No