Information card for entry 2243724

Structure parameters

• Common name: Bis(difluoroboron)bis(pyrrol-2-yl)methylenediaminophenylene
• Chemical name: (μ-<i>N</i>-[(3,5-Dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]<i>N</i>-{{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]
• Formula: C20 H20 B2 F4 N4
• Calculated formula: C20 H20 B2 F4 N4
• Title of publication: Crystal structure and fluorescence study of (μ-<i>N</i>-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylidene]-<i>N</i>-{4-[(3,5-dimethyl-1<i>H</i>-pyrrol-2-yl)methylideneazaniumyl]phenyl}azanium)bis[difluoridoboron(IV)]
• Authors of publication: Liu, Xiaoxue; Li, Tuo; Yin, Zhenming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 2
• Pages of publication: 126 - 129
• a: 20.2495 ± 0.0009 Å
• b: 6.8046 ± 0.0005 Å
• c: 13.4969 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1859.73 ± 0.17 ų
• Cell temperature: 109.7 ± 0.5 K
• Ambient diffraction temperature: 109.7 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes