Information card for entry 7051666

Structure parameters

• Chemical name: Benzene-1,3,5-tricarboxylic acid tris(8-hydroxyquinoline) ester 8-hydroxyquinoline clathrate
• Formula: C38.25 H22.5 N3.25 O6.25
• Calculated formula: C38.25 H22.5 N3.25 O6.25
• Title of publication: Metallo-gels and organo-gels with tripodal cyclotriveratrylene-type and 1,3,5-substituted benzene-type ligands
• Authors of publication: Westcott, Aleema; Sumby, Christopher J.; Walshaw, Richard D.; Hardie, Michaele J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 902
• a: 11.2727 ± 0.0007 Å
• b: 12.873 ± 0.0007 Å
• c: 12.9939 ± 0.0007 Å
• α: 66.724 ± 0.003°
• β: 72.538 ± 0.003°
• γ: 71.602 ± 0.003°
• Cell volume: 1609.99 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No