Information card for entry 7205712

Structure parameters

• Common name: phenazine:tetrafluoro-1,2-diiodobenzene 1/1
• Chemical name: phenazine:tetrafluoro-1,2-diiodobenzene 1/1
• Formula: C18 H8 F4 I2 N2
• Calculated formula: C18 H8 F4 I2 N2
• Title of publication: Experimental and database studies of three-centered halogen bonds with bifurcated acceptors present in molecular crystals, cocrystals and salts
• Authors of publication: Cinčić, Dominik; Friščić, Tomislav; Jones, William
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 3224
• a: 14.3077 ± 0.0003 Å
• b: 7.6892 ± 0.0002 Å
• c: 20.0916 ± 0.0004 Å
• α: 90°
• β: 125.881 ± 0.001°
• γ: 90°
• Cell volume: 1790.92 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No