Information card for entry 2227754

Structure parameters

• Chemical name: Aqua[1,3-bis(benzimidazol-2-yl)-2-oxapropane]diethanolmanganese(II) dipicrate ethanol disolvate
• Formula: C36 H44 Mn N10 O20
• Calculated formula: C36 H44 Mn N10 O20
• Title of publication: Aqua[1,3-bis(benzimidazol-2-yl)-2-oxapropane]diethanolmanganese(II) dipicrate ethanol disolvate
• Authors of publication: Sun, Tao; Li, Ke; Lai, Yulin; Chen, Ruihuan; Wu, Huilu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1058
• a: 10.0519 ± 0.0003 Å
• b: 24.8584 ± 0.0008 Å
• c: 18.0291 ± 0.0007 Å
• α: 90°
• β: 98.504 ± 0.001°
• γ: 90°
• Cell volume: 4455.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2096
• Weighted residual factors for all reflections included in the refinement: 0.2549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes