Information card for entry 7224845

Structure parameters

• Chemical name: [HHTP.TBA.MeOSO3]n
• Formula: C70 H102 N2 O20 S2
• Calculated formula: C70 H102 N2 O20 S2
• 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: 20.01455 ± 0.00017 Å
• b: 15.41266 ± 0.00017 Å
• c: 22.3318 ± 0.00014 Å
• α: 90°
• β: 90.0507 ± 0.0007°
• γ: 90°
• Cell volume: 6888.85 ± 0.11 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: 0.0491
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections: 0.1294
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No