Information card for entry 8105252

Structure parameters

• Formula: C60 H106 N12 O32 Zn3
• Calculated formula: C60 H66 N12 O12 Zn3
• Title of publication: Crystal structure of poly[[tris(μ2-cis-1,2-cyclohexanedicarboxylato)-κ2 O, O′]-bis[μ3-1,3,5-tris[(1H-imidazol-1-yl)methyl]benzene-κ3 N, N′,N′′]-trizinc(II)] – water (1/20), C60H106N12O32Zn3
• Authors of publication: Li, Bing-Feng; Dong, Tong-Min; Xu, Xi-Ting; Gu, Yang; Gong, Lei; Zhou, Wan-Ying; Zhong, Kai-Long
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 3
• Pages of publication: 667 - 670
• a: 18.9877 ± 0.0014 Å
• b: 19.7813 ± 0.0015 Å
• c: 21.0699 ± 0.0014 Å
• α: 90°
• β: 103.345 ± 0.002°
• γ: 90°
• Cell volume: 7700.2 ± 1 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No