Information card for entry 7224361

Structure parameters

• Common name: ClIO4 dichloromethane solvate
• Formula: C52.61 H29.22 Cl5.22 N8 O8
• Calculated formula: C52.61 H29.22 Cl5.22 N8 O8
• 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: 13.6868 ± 0.0009 Å
• b: 19.0571 ± 0.0011 Å
• c: 19.07 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4974 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No