Information card for entry 2217165

Structure parameters

• Chemical name: Azido(methanol)[N,N'-(o-phenylene)bis(pyridine-2-carboxamidato)]manganese(III)
• Formula: C19 H16 Mn N7 O3
• Calculated formula: C19 H16 Mn N7 O3
• SMILES: [Mn]123([n]4ccccc4C(=O)N1c1ccccc1N2C(=O)c1[n]3cccc1)(N=N#N)[OH]C
• Title of publication: Azido(methanol)[<i>N</i>,<i>N</i>'-(<i>o</i>-phenylene)bis(pyridine-2-carboxamidato)]manganese(III)
• Authors of publication: Yuhua Feng; Daizheng Liao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m68 - m68
• a: 12.115 ± 0.002 Å
• b: 9.4987 ± 0.0019 Å
• c: 16.748 ± 0.003 Å
• α: 90°
• β: 95.94 ± 0.03°
• γ: 90°
• Cell volume: 1917 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes