Information card for entry 7051890

Structure parameters

• Formula: C38.72 H33.44 O6.24 S6
• Calculated formula: C38.72 H33.44 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: 7.9572 ± 0.0017 Å
• b: 10.694 ± 0.002 Å
• c: 11.958 ± 0.003 Å
• α: 95.691 ± 0.003°
• β: 106.43 ± 0.003°
• γ: 95.669 ± 0.003°
• Cell volume: 962.6 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0598
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No