Information card for entry 7705077

Structure parameters

• Formula: C112 H86 Cl3 Mn10 N86 O27
• Calculated formula: C103.006 H86.0016 Cl3 Mn10 N79.0056 O24
• Title of publication: A Mn(II)-MOF with inherent missing metal-ion defects based on an imidazole-tetrazole tripodal ligand and its application in supercapacitors.
• Authors of publication: Wang, Jun; Deng, Shu-Qi; Zhao, Ting-Ting; Zheng, Sheng-Run; Cai, Song-Liang; Fan, Jun; Zhang, Wei-Guang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 35
• Pages of publication: 12150 - 12155
• a: 19.1551 ± 0.0003 Å
• b: 19.1551 ± 0.0003 Å
• c: 19.1551 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7028.35 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No