Information card for entry 8104581

Structure parameters

• Chemical name: 2-Hydroxypyridine-3-carboxylic acid manganese(II)
• Formula: C27 H28 Mn N4 O9
• Calculated formula: C27 H28 Mn N4 O9
• SMILES: [Mn]123(OC(=O)c4c(=[O]1)[nH]ccc4)(OC(=O)c1c(=[O]2)[nH]ccc1)[n]1cccc2c1c1[n]3cccc1cc2.OC.OC.OC
• Title of publication: The crystal structure of bis(2-oxidopyridin-1-ium-3-carboxylato-κ2 O,O′)-(phenantroline-κ2 N,N′)manganese(II) - methanol (1/3), C27H28N4O9Mn
• Authors of publication: Men, Xiaoxia; Zhang, Zhongyu; Li, Xiaoli; Sun, Weiqin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1263 - 1265
• a: 10.0269 ± 0.0007 Å
• b: 14.1702 ± 0.001 Å
• c: 20.075 ± 0.0014 Å
• α: 90°
• β: 100.298 ± 0.001°
• γ: 90°
• Cell volume: 2806.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No