Information card for entry 7224356

Structure parameters

• Common name: (ClIO)3:DMSO:H2O
• Formula: C171.04 H129.12 Cl12 N24 O36.52 S7.52
• Calculated formula: C171.04 H129.12 Cl12 N24 O36.52 S7.52
• 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: 55.0537 ± 0.001 Å
• b: 36.3597 ± 0.0005 Å
• c: 10.6018 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21222 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No