Information card for entry 8105650

Structure parameters

• Formula: C52 H40 Mn2 N2 O10
• Calculated formula: C52 H40 Mn2 N2 O10
• Title of publication: Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2 N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4 O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
• Authors of publication: Chen, Shi-Jun; Li, Shi-Hui; Wang, Wei-Hua; Long, Yong-Fu; Zhang, Wen-Lai; Wang, Tao; Xu, Yan-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 373 - 375
• a: 8.6162 ± 0.0004 Å
• b: 11.0217 ± 0.0005 Å
• c: 45.266 ± 0.002 Å
• α: 90°
• β: 92.828 ± 0.004°
• γ: 90°
• Cell volume: 4293.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No