Information card for entry 7014320

Structure parameters

• Formula: C77 H86 Cl2 F6 N2 O22
• Calculated formula: C77 H86 Cl2 F6 N2 O22
• Title of publication: Controlling the rotation of a complexed guest within a molecular cage.
• Authors of publication: Yen, Ming-Liang; Chen, Nai-Chia; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2163 - 2166
• a: 12.3293 ± 0.0004 Å
• b: 13.3179 ± 0.0005 Å
• c: 13.9601 ± 0.0005 Å
• α: 106.715 ± 0.003°
• β: 96.272 ± 0.003°
• γ: 93.438 ± 0.003°
• Cell volume: 2172.18 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1786
• Residual factor for significantly intense reflections: 0.1688
• Weighted residual factors for significantly intense reflections: 0.4053
• Weighted residual factors for all reflections included in the refinement: 0.4102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.591
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No