Information card for entry 8107033

Structure parameters

• Formula: C44 H54 Cd2 N4 O12
• Calculated formula: C44 H54 Cd2 N4 O12
• Title of publication: Crystal structure of poly[(μ2-2-methyl-1-(4-(2-methyl-2H-benzo[d] imidazol-1(7aH)-yl)butyl)-1H-benzo[d]imidazole-κ2 N:N′)bis(μ3-5-tert-butylbenzene-1,3-dicarboxylato-κ4 O:O,O′:O′′,O′′′)dicadmium(II)] tetrahydrate, C44H54Cd2N4O12
• Authors of publication: Li, Shi-Hui; Zhang, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 871 - 873
• a: 22.818 ± 0.005 Å
• b: 10.714 ± 0.002 Å
• c: 19.163 ± 0.004 Å
• α: 90°
• β: 102.43 ± 0.03°
• γ: 90°
• Cell volume: 4575 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No