Information card for entry 2218850

Structure parameters

• Chemical name: Bis[6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κN^2^)picolinato- κ^2^N,O]manganese(II) bis(3,5-dinitrobenzoic acid) solvate
• Formula: C36 H28 Mn N10 O16
• Calculated formula: C36 H28 Mn N10 O16
• SMILES: [Mn]1234([n]5c(C(=O)O3)cccc5n3[n]1c(cc3C)C)[n]1c(C(=O)O4)cccc1n1[n]2c(cc1C)C.N(=O)(=O)c1cc(C(=O)O)cc(N(=O)=O)c1.N(=O)(=O)c1cc(C(=O)O)cc(N(=O)=O)c1
• Title of publication: Bis[6-(3,5-dimethyl-1<i>H</i>-pyrazol-1-yl-κ<i>N</i>^2^)picolinato-κ^2^<i>N</i>,<i>O</i>]manganese(II) bis(3,5-dinitrobenzoic acid) solvate
• Authors of publication: Hu, Fei-Long; Yin, Xian-Hong; Luo, Wei-Qiang; Zhao, Kai; Lin, Cui-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m883
• a: 10.4291 ± 0.001 Å
• b: 13.7472 ± 0.0018 Å
• c: 15.736 ± 0.002 Å
• α: 69.18 ± 0.001°
• β: 88.085 ± 0.002°
• γ: 67.968 ± 0.001°
• Cell volume: 1941.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes