Information card for entry 7014321

Structure parameters

• Formula: C72 H82 F12 K2 N2 O18 P2
• Calculated formula: C72 H82 F12 K2 N2 O18 P2
• 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: 9.3277 ± 0.0005 Å
• b: 13.4654 ± 0.0004 Å
• c: 17.3928 ± 0.0006 Å
• α: 92.66 ± 0.003°
• β: 102.016 ± 0.004°
• γ: 102.569 ± 0.004°
• Cell volume: 2075.84 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.1133
• Weighted residual factors for significantly intense reflections: 0.2674
• Weighted residual factors for all reflections included in the refinement: 0.2866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No