Information card for entry 7041364

Structure parameters

• Formula: C55.25 H43.75 F6 Ir2 N2.5 O13.25 S2
• Calculated formula: C55 H40.75 F6 Ir2 N2.25 O12.75 S2
• Title of publication: Selective synthesis of iridium(iii)-derived molecular Borromean rings, [2]catenane and ring-in-ring macrocycles via coordination-driven self-assembly.
• Authors of publication: Singh, Nem; Kim, Dongwook; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Lah, Myoung Soo; Chi, Ki-Whan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 571 - 577
• a: 15.563 ± 0.003 Å
• b: 20.963 ± 0.004 Å
• c: 21.774 ± 0.004 Å
• α: 69.4 ± 0.03°
• β: 73.98 ± 0.03°
• γ: 70.94 ± 0.03°
• Cell volume: 6180 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1134
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2182
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No