Information card for entry 2222391

Structure parameters

• Chemical name: Bis[1,3-bis(1-benzyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]nickel(II) dipicrate‒dimethylformamide‒ethanol (1/2/0.25)
• Formula: C78.5 H71.5 N16 Ni O18.25
• Calculated formula: C78.5 H71.5 N16 Ni O18.25
• Title of publication: Bis[1,3-bis(1-benzyl-1<i>H</i>-benzimidazol-2-yl)-2-oxapropane]nickel(II) dipicrate‒dimethylformamide‒ethanol (1/2/0.25)
• Authors of publication: Wu, Huilu; Yun, Ruirui; Li, Ke; Wang, Kaitong; Huang, Xingcai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m751 - m752
• a: 16.6265 ± 0.0004 Å
• b: 18.1735 ± 0.0005 Å
• c: 26.6287 ± 0.0008 Å
• α: 90°
• β: 107.513 ± 0.001°
• γ: 90°
• Cell volume: 7673.2 ± 0.4 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: 0.1604
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2411
• Weighted residual factors for all reflections included in the refinement: 0.2896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes