Information card for entry 7046278

Structure parameters

• Formula: C83 H89 Cl4 F15 Ir4 N12 O15 S5
• Calculated formula: C83 H89 Cl4 F15 Ir4 N12 O15 S5
• 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: 13.7097 ± 0.0017 Å
• b: 13.8806 ± 0.0018 Å
• c: 14.7785 ± 0.0019 Å
• α: 111.475 ± 0.002°
• β: 99.521 ± 0.002°
• γ: 107.062 ± 0.002°
• Cell volume: 2381.4 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No