Information card for entry 2235351

Structure parameters

• Chemical name: [1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)- κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato- κ<i>O</i>^1^)manganese(II)
• Formula: C42 H30 Mn N10 O15
• Calculated formula: C42 H30 Mn N10 O15
• Title of publication: [1,1'-Dibenzyl-2,2'-(2-oxapropane-1,3-diyl)di(1<i>H</i>-benzimidazole)-κ^3^<i>N</i>^3^,<i>O</i>,<i>N</i>^3'^]bis(2,4,6-trinitrophenolato-κ<i>O</i>^1^)manganese(II)
• Authors of publication: Li, Congfen; Kou, Fan; Li, Xinghan; Wu, Hao; Wu, Huilu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m923
• a: 22.323 ± 0.006 Å
• b: 10.937 ± 0.003 Å
• c: 34.13 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8333 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes