Information card for entry 2014987

Structure parameters

• Chemical name: tris(1H-benzimidazol-2-ylmethyl)amine‒water‒methanol‒acetonitrile (1/1.5/0.5/1)
• Formula: C26.5 H29 N8 O2
• Calculated formula: C26.5 H28.5 N8 O2
• Title of publication: Tris(1<i>H</i>-benzimidazol-2-ylmethyl)amine‒solvent adducts
• Authors of publication: Sheng-Run Zheng; Yong-Ru Liu; Xiang-Li Zheng; Xue-Li Zhang; Cheng-Yong Su
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o533 - o536
• a: 9.778 ± 0.004 Å
• b: 9.995 ± 0.002 Å
• c: 14.397 ± 0.006 Å
• α: 103.34 ± 0.01°
• β: 98.16 ± 0.01°
• γ: 102.34 ± 0.01°
• Cell volume: 1310.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1133
• 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: No