Information card for entry 2220598

Structure parameters

• Chemical name: Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)[<i>N</i>,<i>N</i>'-<i>o</i>- phenylenebis(pyridine-2-carboxamidato)-κ^4^<i>N</i>]manganese(II)
• Formula: C26 H24 Mn N8 O2
• Calculated formula: C26 H24 Mn N8 O2
• SMILES: [Mn]123([n]4cn(cc4)C)([n]4cn(cc4)C)[n]4ccccc4C(=O)N1c1ccccc1N2C(=O)c1[n]3cccc1
• Title of publication: Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)[<i>N</i>,<i>N</i>'-<i>o</i>-phenylenebis(pyridine-2-carboxamido)-κ^4^<i>N</i>]manganese(II)
• Authors of publication: Zahran, Zaki N.; Xu, Nan; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: m75
• a: 13.819 ± 0.003 Å
• b: 9.894 ± 0.002 Å
• c: 17.864 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2442.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes