Information card for entry 4349067

Structure parameters

• Formula: C74 H60 N8 Ni2 O16
• Calculated formula: C74 H58 N8 Ni2 O16
• Title of publication: 3,5-Bis((4′-carboxylbenzyl)oxy)benzoilate-based coordination polymers: their synthesis, structural characterization, and sensing properties
• Authors of publication: Huang, Jing-Jing; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 406
• a: 9.1609 ± 0.0018 Å
• b: 12.811 ± 0.003 Å
• c: 14.754 ± 0.003 Å
• α: 87.65 ± 0.03°
• β: 85.1 ± 0.03°
• γ: 89.56 ± 0.03°
• Cell volume: 1723.7 ± 0.6 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: 0.0509
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No