Information card for entry 7224842

Structure parameters

• Chemical name: [HHTP.TBA.I]n
• Formula: C68 H97 I2 N2 O12.5
• Calculated formula: C68 H97 I2 N2 O12.5
• Title of publication: Anion-templated 2D frameworks from hexahydroxytriphenylene
• Authors of publication: Morshedi, Mahbod; Willis, Anthony C.; White, Nicholas G.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 23
• Pages of publication: 4281
• a: 21.6122 ± 0.0005 Å
• b: 16.4917 ± 0.0003 Å
• c: 21.8385 ± 0.0005 Å
• α: 90°
• β: 117.021 ± 0.003°
• γ: 90°
• Cell volume: 6934 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No