Information card for entry 8105056

Structure parameters

• Formula: C20 H23 F12 N5 O P2
• Calculated formula: C20 H23 F12 N5 O P2
• Title of publication: The crystal structure of 1-(2-(2-(imidazo[1,5-a]pyridine-4-ium)ethoxy)ethyl)-imidazo[1,5-a]pyridine-4-ium bis(hexafluorophosphate) — acetonitrile (1/1), C18H20ON4F12P2
• Authors of publication: Bo, Zhao; Yue, Zhong; Jiewei, Luo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 197 - 199
• a: 9.393 ± 0.008 Å
• b: 10.894 ± 0.01 Å
• c: 13.716 ± 0.012 Å
• α: 107.741 ± 0.014°
• β: 100.379 ± 0.015°
• γ: 92.869 ± 0.014°
• Cell volume: 1307 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.183
• Weighted residual factors for all reflections included in the refinement: 0.197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No