Information card for entry 8105472

Structure parameters

• Formula: C15 H12 Br0.5 N2.5
• Calculated formula: C15 H12 Br0.5 N2.5
• Title of publication: The crystal structure of (E)-1-(quinolin-2-ylmethyl)-2-((1-(quinolin-2-ylmethyl)pyridin-2(1H)-ylidene)amino)pyridin-1-ium, C30H25BrN5
• Authors of publication: Alexander, Orbett T.; Roodt, Andreas
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1381 - 1383
• a: 15.685 ± 0.004 Å
• b: 9.317 ± 0.002 Å
• c: 18.373 ± 0.004 Å
• α: 90°
• β: 114.422 ± 0.007°
• γ: 90°
• Cell volume: 2444.7 ± 1 ų
• Cell temperature: 112 K
• Ambient diffraction temperature: 112 K
• Number of distinct elements: 4
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No