Information card for entry 1564007

Structure parameters

• Formula: C37 H42 N6 Ni1.5 O13
• Calculated formula: C37 H36 N6 Ni1.5 O13
• 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: 10.174 ± 0.0008 Å
• b: 11.889 ± 0.0009 Å
• c: 17.943 ± 0.0014 Å
• α: 95.068 ± 0.006°
• β: 96.164 ± 0.007°
• γ: 104.075 ± 0.007°
• Cell volume: 2078.2 ± 0.3 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: 0.2017
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No