Information card for entry 4507310

Structure parameters

• Formula: C61 H49 N10 Ni2 O12
• Calculated formula: C61 H49 N10 Ni2 O12
• Title of publication: Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands
• Authors of publication: Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 792
• a: 19.308 ± 0.004 Å
• b: 14.196 ± 0.003 Å
• c: 20.379 ± 0.004 Å
• α: 90°
• β: 103.15 ± 0.004°
• γ: 90°
• Cell volume: 5439.3 ± 1.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No