Information card for entry 7113100

Structure parameters

• Formula: C176 H172 F24 Ir8 N16 O40 S8
• Calculated formula: C171 H172 F9 Ir8 N16 O25 S3
• Title of publication: Stepwise formation of "organometallic boxes" with half-sandwich Ir, Rh and Ru fragments
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Berke, Heinz; Jin, Guo-Xin
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 350 - 352
• a: 30.733 ± 0.012 Å
• b: 21.788 ± 0.009 Å
• c: 31.101 ± 0.013 Å
• α: 90°
• β: 90.037 ± 0.007°
• γ: 90°
• Cell volume: 20826 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2275
• Residual factor for significantly intense reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.2238
• Weighted residual factors for all reflections included in the refinement: 0.2576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7102815
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No