Information card for entry 7233266

Structure parameters

• Formula: C22 H8 Cl4 F6 N4
• Calculated formula: C22 H8 Cl4 F6 N4
• Title of publication: Noncovalent interactions in the design of bis-azo dyes
• Authors of publication: Shikhaliyev, Namiq Q.; Kuznetsov, Maxim L.; Maharramov, Abel M.; Gurbanov, Atash V.; Ahmadova, Nigar E.; Nenajdenko, Valentine G.; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 34
• Pages of publication: 5032
• a: 5.9287 ± 0.0004 Å
• b: 7.2856 ± 0.0005 Å
• c: 14.804 ± 0.0009 Å
• α: 97.067 ± 0.002°
• β: 95.028 ± 0.002°
• γ: 112.098 ± 0.002°
• Cell volume: 581.7 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No