Information card for entry 7214262

Structure parameters

• Formula: C120 H88 Mn5 N20 O22 S2
• Calculated formula: C120 H88 Mn5 N20 O22 S2
• Title of publication: Syntheses, structures, and magnetic properties of five coordination polymers constructed from biphenyl-3,4′,5-tricarboxylic acid and (bis)imidazole linkers
• Authors of publication: Zhang, Xiutang; Fan, Liming; Zhang, Wei; Fan, Weiliu; Sun, Liming; Zhao, Xian
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 15
• Pages of publication: 3203
• a: 12.15 ± 0.003 Å
• b: 13.422 ± 0.003 Å
• c: 17.825 ± 0.004 Å
• α: 77.205 ± 0.004°
• β: 70.985 ± 0.004°
• γ: 83.344 ± 0.004°
• Cell volume: 2677 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1185
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No