Information card for entry 7046280

Structure parameters

• Formula: C108 H116 F12 Ir4 N20 O12 S4
• Calculated formula: C96 H98 F12 Ir4 N14 O12 S4
• Title of publication: Construction of half-sandwich multinuclear complexes including tunnel architectures via C-H-activation-directed assembly.
• Authors of publication: Guo, Bei-Bei; Gao, Wen-Xi; Lin, Yue-Jian; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 23
• Pages of publication: 7701 - 7708
• a: 13.5713 ± 0.0016 Å
• b: 13.5763 ± 0.0016 Å
• c: 18.221 ± 0.002 Å
• α: 71.237 ± 0.002°
• β: 76.757 ± 0.002°
• γ: 65.095 ± 0.002°
• Cell volume: 2866 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1104
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.2271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No