Information card for entry 7103396

Structure parameters

• Common name: Benzene-1,3,5-tricarboxylic acid tris(4-iodophenyl) ester benzene solvate
• Chemical name: Benzene-1,3,5-tricarboxylic acid tris(4-iodophenyl) ester benzene solvate
• Formula: C36 H24 I3 O6
• Calculated formula: C36 H24 I3 O6
• Title of publication: Hexagonal crystalline inclusion complexes of 4-iodophenoxy trimesoate.
• Authors of publication: Pigge, F Christopher; Vangala, Venu R; Kapadia, Pradeep P; Swenson, Dale C; Rath, Nigam P
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 39
• Pages of publication: 4726 - 4728
• a: 16.5473 ± 0.0017 Å
• b: 16.5473 ± 0.0017 Å
• c: 8.438 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2000.9 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No