Information card for entry 7051875

Structure parameters

• Formula: C40.24 H36.48 Cl1.52 O6.24 S6
• Calculated formula: C40.24 H36.48 Cl1.52 O6.24 S6
• Title of publication: Guest capture, storage and removal in the TATM host framework: a single-crystal study
• Authors of publication: Burchell, Tara J.; Enright, Gary D.; Ripmeester, John A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 864
• a: 7.9555 ± 0.0003 Å
• b: 10.9385 ± 0.0005 Å
• c: 12.1457 ± 0.0005 Å
• α: 97.452 ± 0.002°
• β: 105.862 ± 0.002°
• γ: 96.676 ± 0.002°
• Cell volume: 995.27 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No