Information card for entry 7046282

Structure parameters

• Formula: C111 H122 Cl8 F12 Ir4 N12 O16 S4
• Calculated formula: C107 H104 Cl4 F12 Ir4 N12 O14 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: 25.984 ± 0.002 Å
• b: 16.1535 ± 0.0013 Å
• c: 29.502 ± 0.003 Å
• α: 90°
• β: 93.887 ± 0.001°
• γ: 90°
• Cell volume: 12354.5 ± 1.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1505
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No