Information card for entry 2220801

Structure parameters

• Chemical name: Diaqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- κ^2^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) perchlorate 18-crown-6 hemisolvate monohydrate
• Formula: C24 H36 Cl Mn N2 O14
• Calculated formula: C24 H36 Cl Mn N2 O14
• Title of publication: Diaqua{6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ^2^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}manganese(III) perchlorate 18-crown-6 hemisolvate monohydrate
• Authors of publication: Li, Zhan-Xian; Li, Xia; Zhang, Li-Feng; Yu, Ming-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m153
• a: 11.7287 ± 0.0012 Å
• b: 15.5814 ± 0.0016 Å
• c: 16.8158 ± 0.0016 Å
• α: 90°
• β: 105.529 ± 0.002°
• γ: 90°
• Cell volume: 2960.9 ± 0.5 ų
• Cell temperature: 272 ± 3 K
• Ambient diffraction temperature: 272 ± 3 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.2165
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.163
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes