Information card for entry 1564167

Structure parameters

• Formula: C23 H17 Mn N2 O7
• Calculated formula: C23 H17 Mn N2 O7
• Title of publication: Two 2-fold interpenetrating three-dimensional coordination polymers based on two-fold deprotonated 5-((3-carboxyphenoxy)methyl)benzene-1,3-dioic acid and 1,4-bis((1H-imidazol-1-yl)methyl)benzene: Syntheses, structures and properties
• Authors of publication: He, Yuan-Chun; Yuan, Zi-Han; Zhang, Jie; Xiao, Li-Yuan; Wang, Yan; Xu, Na
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119802
• a: 8.802 ± 0.0007 Å
• b: 10.272 ± 0.0008 Å
• c: 12.346 ± 0.0008 Å
• α: 71.776 ± 0.006°
• β: 80.416 ± 0.006°
• γ: 75.497 ± 0.006°
• Cell volume: 1021.75 ± 0.14 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: 0.0511
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No