Information card for entry 2012037

Structure parameters

• Common name: [Mn(vanpa)(benzoato)]~2~
• Chemical name: bis(μ-benzoato-O:O')-bis(2-(6-methoxy)salicylideneamino -3-propanolato-N,O'',O''':O''')-dimanganese(III)
• Formula: C36 H36 Mn2 N2 O10
• Calculated formula: C36 H36 Mn2 N2 O10
• SMILES: C1(c2ccccc2)=[O][Mn]23456[N](CCC[O]2[Mn]274([N](CCC[O]62)=Cc2c(O7)c(OC)ccc2)([O]=C(c2ccccc2)O5)O1)=Cc1c(O3)c(OC)ccc1
• Title of publication: A carboxylato-supported alkoxo-bridged dimanganese(III) complex: bis(μ-benzoato-<i>O</i>:<i>O</i>')bis[3-(3-methoxysalicylideneamino)propanolato-<i>O</i>,<i>N</i>,<i>O</i>':<i>O</i>']dimanganese(III)
• Authors of publication: Zhang, Cungen; Janiak, Christoph
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 719 - 720
• a: 13.009 ± 0.003 Å
• b: 9.333 ± 0.005 Å
• c: 15.162 ± 0.005 Å
• α: 90°
• β: 113.24 ± 0.02°
• γ: 90°
• Cell volume: 1691.5 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes