Information card for entry 2011453

Structure parameters

• Chemical name: Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III) hydroxide
• Formula: C18 H14 Mn N3 O7
• Calculated formula: C18 H14 Mn N3 O7
• SMILES: [Mn]123(OC(=O)c4[n]1cccc4)([O]=C(O)c1[n]2cccc1)OC(=O)c1[n]3cccc1.[OH-]
• Title of publication: Bis(pyridinecarboxylato-<i>O</i>,<i>N</i>)(pyridinecarboxylic acid-<i>O</i>,<i>N</i>)manganese(III) hydroxide
• Authors of publication: Li, Yi-Zhi; Wang, Min; Wang, Liu-Fang; Xia, Chun-Gu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e445 - e446
• a: 30.523 ± 0.006 Å
• b: 8.4111 ± 0.0017 Å
• c: 13.914 ± 0.003 Å
• α: 90°
• β: 94.4 ± 0.03°
• γ: 90°
• Cell volume: 3561.6 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes