Information card for entry 7107610

Structure parameters

• Formula: C146 H154 F18 Ir6 N24 O24 S6
• Calculated formula: C140 H138 Ir6 N24 O6
• Title of publication: Sunlight induced cycloaddition and host-guest property of self-assembled organometallic macrocycles based on a versatile building block
• Authors of publication: Tong Wu; Lin-Hong Weng; Guo-Xin Jin
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4435
• a: 20.861 ± 0.003 Å
• b: 33.223 ± 0.005 Å
• c: 28.731 ± 0.004 Å
• α: 90°
• β: 107.195 ± 0.002°
• γ: 90°
• Cell volume: 19022 ± 5 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: 0.1535
• Residual factor for significantly intense reflections: 0.0936
• Weighted residual factors for significantly intense reflections: 0.251
• Weighted residual factors for all reflections included in the refinement: 0.284
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No