Information card for entry 7224352

Structure parameters

• Common name: (FIO)3:CH2Cl2
• Formula: C40 H23 Cl2 F3 N6 O6
• Calculated formula: C40 H23 Cl2 F3 N6 O6
• Title of publication: Halogenated tennimides and trezimides: impact of halogen bonding and solvent role on porous network formation and inclusion
• Authors of publication: Mocilac, P.; Gallagher, J. F.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 2375
• a: 11.6181 ± 0.0001 Å
• b: 12.7879 ± 0.0001 Å
• c: 24.72 ± 0.0002 Å
• α: 90°
• β: 91.4752 ± 0.0006°
• γ: 90°
• Cell volume: 3671.46 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.042
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No