Information card for entry 1564006

Structure parameters

• Formula: C31 H36 N6 Ni1.5 O10
• Calculated formula: C31 H33 N6 Ni1.5 O10
• Title of publication: Syntheses, structures and properties of two Ni(II) coordination polymers based on an anionic ligand deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and different neutral ligands
• Authors of publication: He, Yuan-Chun; Wang, Yan; Zhao, Fang-Hua; Wang, Yu-Chen; Wang, Ke-Xin; Yang, Hong-Kun; Xu, Na
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 513
• Pages of publication: 119930
• a: 10.913 ± 0.0005 Å
• b: 13.304 ± 0.0006 Å
• c: 14.672 ± 0.0008 Å
• α: 66.246 ± 0.005°
• β: 69.905 ± 0.004°
• γ: 66.909 ± 0.004°
• Cell volume: 1749.39 ± 0.17 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: 0.079
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No