Information card for entry 7217588

Structure parameters

• Formula: C62 H48 N16 O19 Zn5
• Calculated formula: C62 H46 N16 O19 Zn5
• Title of publication: Zinc(ii) coordination polymers with substituted benzenedicarboxylate and tripodal imidazole ligands: syntheses, structures and properties
• Authors of publication: Hua, Ji-Ai; Zhao, Yue; Liu, Qing; Zhao, Dan; Chen, Kai; Sun, Wei-Yin
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 32
• Pages of publication: 7536
• a: 11.539 ± 0.003 Å
• b: 11.562 ± 0.003 Å
• c: 14.283 ± 0.003 Å
• α: 99.419 ± 0.003°
• β: 96.191 ± 0.003°
• γ: 117.938 ± 0.003°
• Cell volume: 1623.1 ± 0.7 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: 0.0896
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7216228
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No