Information card for entry 2243342

Structure parameters

• Chemical name: Tetraiodoethylene‒benzo[<i>f</i>]quinoline (1/2)
• Formula: C14 H9 I2 N
• Calculated formula: C14 H9 I2 N
• Title of publication: Structural and luminescent properties of co-crystals of tetraiodoethylene with two azaphenanthrenes
• Authors of publication: Cui, Yu-Jin; Su, Feng; Jin, Wei-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 438 - 442
• a: 7.3179 ± 0.0004 Å
• b: 8.1089 ± 0.0005 Å
• c: 11.3252 ± 0.0007 Å
• α: 97.05 ± 0.002°
• β: 92.059 ± 0.002°
• γ: 95.579 ± 0.002°
• Cell volume: 663.02 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0441
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0523
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes