Information card for entry 7205711

Structure parameters

• Common name: acridine:tetrafluoro-1,2-diiodobenzene 7/4
• Chemical name: acridine:tetrafluoro-1,2-diiodobenzene 7/4
• Formula: C115 H63 F16 I8 N7
• Calculated formula: C115 H63 F16 I8 N7
• 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: 9.3792 ± 0.0001 Å
• b: 13.262 ± 0.0002 Å
• c: 20.959 ± 0.0004 Å
• α: 74.809 ± 0.001°
• β: 88.358 ± 0.001°
• γ: 78.396 ± 0.001°
• Cell volume: 2463.71 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No