Information card for entry 7213668

Structure parameters

• Common name: (26BrIO)3_CH2Cl2_[11-125]
• Formula: C38 H22 Br3 Cl4 N9 O6
• Calculated formula: C38 H22 Br3 Cl4 N9 O6
• Title of publication: Halogen bonding directed supramolecular assembly in bromo-substituted trezimides and tennimides
• Authors of publication: Mocilac, Pavle; Gallagher, John F.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1893
• a: 12.239 ± 0.0005 Å
• b: 13.6149 ± 0.0005 Å
• c: 13.6447 ± 0.0005 Å
• α: 100.749 ± 0.003°
• β: 99.99 ± 0.003°
• γ: 95.463 ± 0.003°
• Cell volume: 2180.69 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 1 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: 0.1119
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1867
• 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: Yes
• Has Fobs: No