Information card for entry 4129619

Structure parameters

• Formula: C195 H260 Cl32 F18 Ir12 N24 O40 S6
• Calculated formula: C177 H212 Cl8 F6 Ir12 N24 O18 S2
• 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: 37.603 ± 0.005 Å
• b: 21.407 ± 0.003 Å
• c: 38.008 ± 0.005 Å
• α: 90°
• β: 106.131 ± 0.002°
• γ: 90°
• Cell volume: 29391 ± 7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2182
• Residual factor for significantly intense reflections: 0.1135
• Weighted residual factors for significantly intense reflections: 0.2877
• Weighted residual factors for all reflections included in the refinement: 0.3382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No