Information card for entry 7028794

Structure parameters

• Formula: C84 H116 F6 Ir2 N8 O14 S2
• Calculated formula: C68 H70 F6 Ir2 N8 O7 S2
• Title of publication: Design and self-assembly of variform organometallic macrocycle with terminal imidazole-based bridging ligands utilizing joints twist and rotation.
• Authors of publication: Wu, Tong; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2356 - 2360
• a: 36.2926 ± 0.0008 Å
• b: 16.2805 ± 0.0004 Å
• c: 28.4835 ± 0.0006 Å
• α: 90°
• β: 123.074 ± 0.001°
• γ: 90°
• Cell volume: 14102.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0976
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No