Information card for entry 7214800

Structure parameters

• Formula: C74 H54 N4 O18 Zn5
• Calculated formula: C74 H54 N4 O18 Zn5
• Title of publication: Metal oxo cluster-based coordination polymers with rigid 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane ligands: syntheses, structural topologies, and luminescent properties
• Authors of publication: Wang, Yu-Ling; Fu, Jiang-Hong; Jiang, Yun-Liang; Fu, Yang; Xiong, Wei-Lu; Liu, Qing-Yan
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 7245
• a: 16.1492 ± 0.0014 Å
• b: 15.1711 ± 0.0013 Å
• c: 26.937 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6599.6 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No