Information card for entry 4083499

Structure parameters

• Formula: C28 H34 Cl8 Ir2 O4
• Calculated formula: C28 H34 Cl8 Ir2 O4
• SMILES: C12=C(Cl)C3=[O][Ir]4567([c]8([c]4([c]5([c]6([c]78C)C)C)C)C)(OC3=C(C2=[O][Ir]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)(O1)Cl)Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 11.189 ± 0.004 Å
• b: 20.083 ± 0.006 Å
• c: 8.224 ± 0.003 Å
• α: 90°
• β: 107.958 ± 0.004°
• γ: 90°
• Cell volume: 1758 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0619
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No