Information card for entry 2230201

Structure parameters

• Chemical name: Bis[(2-pyridyl)(2-pyridylamino)methanolato]manganese(III) nitrate
• Formula: C22 H20 Mn N7 O5
• Calculated formula: C22 H20 Mn N7 O5
• SMILES: [Mn]1234(O[C@@H](Nc5[n]3cccc5)c3[n]4cccc3)O[C@@H](Nc3[n]2cccc3)c2[n]1cccc2.O=N(=O)[O-].[Mn]1234(O[C@H](Nc5[n]3cccc5)c3[n]4cccc3)O[C@H](Nc3[n]2cccc3)c2[n]1cccc2.O=N(=O)[O-]
• Title of publication: Bis[(2-pyridyl)(2-pyridylamino)methanolato]manganese(III) nitrate
• Authors of publication: Ding, Shuai; Xia, Congjun; Ji, Yufei; Liu, Zhiliang; Ding, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m622 - m623
• a: 12.889 ± 0.003 Å
• b: 10.931 ± 0.002 Å
• c: 19.309 ± 0.006 Å
• α: 90°
• β: 123.34 ± 0.02°
• γ: 90°
• Cell volume: 2272.7 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes