Information card for entry 4501905

Structure parameters

• Formula: C46 H40.5 N6 O10.5 Zn2
• Calculated formula: C46 H36 N6 O10.25 Zn2
• Title of publication: Syntheses, Structures, and Photoluminescence of Zinc(II) Coordination Polymers Based on Carboxylates and Flexible Bis-[(pyridyl)-benzimidazole] Ligands
• Authors of publication: Liu, Hai-Yan; Wu, Hua; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Bo; Yang, Jin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4795
• a: 8.6457 ± 0.0005 Å
• b: 23.0914 ± 0.0011 Å
• c: 11.5675 ± 0.0005 Å
• α: 90°
• β: 105.197 ± 0.005°
• γ: 90°
• Cell volume: 2228.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1683
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No