Information card for entry 7046024

Structure parameters

• Formula: C87 H125 F12 Ir6 N7 O29 S4
• Calculated formula: C82.5 H101 F12 Ir6 N7 O23 S4
• Title of publication: Controllable assembly of rectangular macrocycles bearing different numbers of unsaturated sites based on half-sandwich iridium fragments.
• Authors of publication: Dang, Li-Long; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 18
• Pages of publication: 6378 - 6385
• a: 17.8224 ± 0.0019 Å
• b: 21.279 ± 0.002 Å
• c: 29.878 ± 0.003 Å
• α: 71.018 ± 0.002°
• β: 84.763 ± 0.002°
• γ: 88.326 ± 0.002°
• Cell volume: 10670.1 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.1207
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2016
• Weighted residual factors for all reflections included in the refinement: 0.2637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No