Information card for entry 4068073

Structure parameters

• Formula: C180 H168 Cl6 F18 Ir6 N18 O19 S6
• Calculated formula: C178 H166 Cl3 F15 Ir6 N18 O16 S5
• Title of publication: Efficient Route to Organometallic Cage Formation via C‒H Activation-Directed Muticomponent Assembly Accompanying Aromatic Guest Encapsulation
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Hor, T. S. Andy; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 3
• Pages of publication: 995
• a: 54.785 ± 0.004 Å
• b: 25.759 ± 0.002 Å
• c: 38.85 ± 0.005 Å
• α: 90°
• β: 131.353 ± 0.001°
• γ: 90°
• Cell volume: 41155 ± 7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2039
• Residual factor for significantly intense reflections: 0.0878
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.2523
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No