Information card for entry 4129612

Structure parameters

• Formula: C146 H184 F24 Ir8 N16 O40 S8
• Calculated formula: C138.5 H156 F19.5 Ir8 N16 O28.5 S6.5
• Title of publication: Rational Design of Polynuclear Organometallic Assemblies from a Simple Heteromultifunctional Ligand.
• Authors of publication: Zhang, Long; Lin, Yue-Jian; Li, Zhen-Hua; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 42
• Pages of publication: 13670 - 13678
• a: 25.934 ± 0.003 Å
• b: 19.55 ± 0.002 Å
• c: 37.42 ± 0.004 Å
• α: 90°
• β: 107.799 ± 0.002°
• γ: 90°
• Cell volume: 18064 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1325
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2405
• Weighted residual factors for all reflections included in the refinement: 0.2673
• 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: Yes
• Has Fobs: No