Information card for entry 7224358

Structure parameters

• Common name: MIO4:CH2Cl2
• Formula: C57 H42 Cl2 N8 O8
• Calculated formula: C57 H42 Cl2 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: 13.9556 ± 0.0003 Å
• b: 19.085 ± 0.0004 Å
• c: 19.123 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5093.27 ± 0.17 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: 0.0768
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1395
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No