Information card for entry 7032107

Structure parameters

• Common name: {[Mn2(TPTA)(2,2'-bpy)(H2O)]1.5H2O}n
• Formula: C32 H23 Mn2 N2 O10.5
• Calculated formula: C32 H18 Mn2 N2 O9
• Title of publication: Metal-organic frameworks based on the [1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid ligand: syntheses, structures and magnetic properties.
• Authors of publication: Lv, Xiaofeng; Liu, Lu; Huang, Chao; Guo, Li'an; Wu, Jie; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 41
• Pages of publication: 15475 - 15481
• a: 9.7207 ± 0.0019 Å
• b: 10.111 ± 0.002 Å
• c: 15.286 ± 0.003 Å
• α: 92.87 ± 0.03°
• β: 98.72 ± 0.03°
• γ: 96.33 ± 0.03°
• Cell volume: 1472.6 ± 0.5 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: 0.0722
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No