Information card for entry 7239111

Structure parameters

• Formula: C117 H126 F12 N12 O19 Rh4 S4
• Calculated formula: C115 H113 F12 N12 O15 Rh4 S4
• Title of publication: Size recognition and optical unloading of polyaromatic compounds based on a coordination box containing face-to-face olefin bonds
• Authors of publication: Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 29
• Pages of publication: 11476
• a: 19.3744 ± 0.0015 Å
• b: 20.4476 ± 0.0016 Å
• c: 16.1066 ± 0.0012 Å
• α: 90°
• β: 91.537 ± 0.001°
• γ: 90°
• Cell volume: 6378.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.1668
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No