Information card for entry 2226171

Structure parameters

• Chemical name: Bis[μ-2-(2-benzoylhydrazinylidenemethyl)-6-methoxyphenolato][2-(2- benzoylhydrazinylidenemethyl)-6-methoxyphenolato]dimanganese(II) perchlorate methanol solvate
• Formula: C46 H43 Cl Mn2 N6 O14
• Calculated formula: C46 H43 Cl Mn2 N6 O14
• SMILES: Cl(=O)(=O)(=O)[O-].[Mn]12456[O]3[Mn]78([N](NC(=[O]7)c7ccccc7)=Cc7cccc(OC)c7O8)([O](C)c7cccc(c37)C=[N]1NC(=[O]4)c1ccccc1)[O]5c1c(OC)cccc1C=[N]2NC(=[O]6)c1ccccc1.OC
• Title of publication: Bis[μ-2-(2-benzoylhydrazinylidenemethyl)-6-methoxyphenolato][2-(2-benzoylhydrazinylidenemethyl)-6-methoxyphenolato]dimanganese(II) perchlorate methanol solvate
• Authors of publication: Yu, Gui-Miao; Li, Yun-Hui; Zou, Li-Fei; Zhu, Jian-Wei; Liu, Xiao-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m693 - m694
• a: 12.7184 ± 0.0006 Å
• b: 13.8723 ± 0.0007 Å
• c: 15.0885 ± 0.0012 Å
• α: 100.268 ± 0.001°
• β: 94.03 ± 0.001°
• γ: 115.826 ± 0.001°
• Cell volume: 2324.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes