Information card for entry 7108152

Structure parameters

• Formula: C36 H19 Br4 F8 I3 N2 O2
• Calculated formula: C36 H19 Br4 F8 I3 N2 O2
• 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: 9.2497 ± 0.0004 Å
• b: 11.8502 ± 0.0006 Å
• c: 19.157 ± 0.001 Å
• α: 92.354 ± 0.003°
• β: 94.75 ± 0.003°
• γ: 98.469 ± 0.003°
• Cell volume: 2066.76 ± 0.18 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0926
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No