Information card for entry 7202687

Structure parameters

• Common name: 1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene
• Chemical name: 1-(4-pyridyl)-2-(2,3,5,6-F4-4-I-phenyl)ethene
• Formula: C13 H6 F4 I N
• Calculated formula: C13 H6 F4 I N1.434
• Title of publication: Attempted assembly of discrete coordination complexes into 1-D chains using halogen bonding or halogen?halogen interactions
• Authors of publication: Christer B. Aakeröy; Nate Schultheiss; John Desper; Curtis Moore
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 5
• Pages of publication: 421
• a: 12.0266 ± 0.0005 Å
• b: 10.2443 ± 0.0004 Å
• c: 4.9988 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 615.87 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No