Information card for entry 7041362

Structure parameters

• Formula: C720 H600 F72 Ir24 N24 O120 S24
• Calculated formula: C710 H600 F42 Ir24 N24 O90 S14
• 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: 30.467 ± 0.006 Å
• b: 37.387 ± 0.008 Å
• c: 39.171 ± 0.008 Å
• α: 90°
• β: 93.04 ± 0.03°
• γ: 90°
• Cell volume: 44556 ± 16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.222
• Residual factor for significantly intense reflections: 0.1766
• Weighted residual factors for significantly intense reflections: 0.4609
• Weighted residual factors for all reflections included in the refinement: 0.5092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.949
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No