Information card for entry 7108153

Structure parameters

• Formula: C24 H10 F8 I2 N2 O2
• Calculated formula: C24 H10 F8 I2 N2 O2
• SMILES: Ic1c(F)c(F)c(O[C@@H]([C@H](Oc2c(F)c(F)c(I)c(F)c2F)c2ccncc2)c2ccncc2)c(F)c1F.Ic1c(F)c(F)c(O[C@H]([C@@H](Oc2c(F)c(F)c(I)c(F)c2F)c2ccncc2)c2ccncc2)c(F)c1F
• Title of publication: Hydrogen and halogen bonding drive the orthogonal self-assembly of an organic framework possessing 2D channels
• Authors of publication: Javier Marti-Rujas; Luca Colombo; Jian Lu; Archan Dey; Giancarlo Terraneo; Pierangelo Metrangolo; Tullio Pilati; Giuseppe Resnati
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8207
• a: 9.3175 ± 0.0006 Å
• b: 10.3237 ± 0.0006 Å
• c: 13.5796 ± 0.0007 Å
• α: 68.372 ± 0.002°
• β: 74.546 ± 0.003°
• γ: 85.996 ± 0.003°
• Cell volume: 1169.78 ± 0.12 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No