Information card for entry 1564163

Structure parameters

• Formula: C22 H18 F4 Mn N4 O12
• Calculated formula: C22 H18 F4 Mn N4 O12
• SMILES: [OH2][Mn]12([n]3c(C(=O)O1)c(C(=O)O)[nH]c3c1cc(cc(F)c1)F)([n]1c(C(=O)O2)c(C(=O)O)[nH]c1c1cc(cc(F)c1)F)[OH2].O.O
• Title of publication: Proton conductive properties of two Mn/Pb complexes constructed by difluorophenyl imidazole dicarboxylate
• Authors of publication: Feng, Junyang; Li, Ying; Chen, Wanyao; Meng, Xiangru; Li, Gang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119800
• a: 12.79 ± 0.002 Å
• b: 5.5561 ± 0.0004 Å
• c: 18.9792 ± 0.0019 Å
• α: 90°
• β: 107.963 ± 0.014°
• γ: 90°
• Cell volume: 1283 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No