Information card for entry 4083503

Structure parameters

• Formula: C80 H80 Cl4 F12 Ir4 N4 O20 S4
• Calculated formula: C79 H80 Cl4 F9 Ir4 N4 O17 S3
• Title of publication: Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†
• Authors of publication: Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4088
• a: 8.43 ± 0.005 Å
• b: 16.397 ± 0.01 Å
• c: 21.769 ± 0.013 Å
• α: 103.33 ± 0.011°
• β: 101.033 ± 0.008°
• γ: 99.267 ± 0.008°
• Cell volume: 2807 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No