Information card for entry 7227014

Structure parameters

• Formula: C56 H58 N8 Ni2 O13
• Calculated formula: C56 H58 N8 Ni2 O13
• Title of publication: A series of bis(pyridyl)-bis(amide)-modulated metal-1,2-phenylenediacetate coordination polymers: construction and selective dye adsorption
• Authors of publication: Wang, Xiuli; Zhao, Jing; Le, Mao; Lin, Hongyan; Liu, Guocheng; Wang, Xiang
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 48
• Pages of publication: 9316
• a: 18.447 ± 0.0002 Å
• b: 21.014 ± 0.0003 Å
• c: 28.775 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11154.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No