Information card for entry 8106523

Structure parameters

• Formula: C30 H14 Cl2 F4 I2 N4
• Calculated formula: C30 H14 Cl2 F4 I2 N4
• Title of publication: Crystal structure of halogen-bonded 2-chloro-1,10-phenanthroline—1,4-diiodotetrafluorobenzene (2/1), C30H14Cl2F4I2N4
• Authors of publication: Wang, Jian-Ge; Wang, Weizhou
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 2
• Pages of publication: 323 - 324
• a: 17.3143 ± 0.0009 Å
• b: 8.7081 ± 0.0004 Å
• c: 19.6795 ± 0.0008 Å
• α: 90°
• β: 101.795 ± 0.004°
• γ: 90°
• Cell volume: 2904.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No