Information card for entry 4069370

Structure parameters

• Formula: C38 H38 Cl4 Ir2 N2 O2
• Calculated formula: C38 H38 Cl4 Ir2 N2 O2
• SMILES: c12O[Ir]3456([c]7([c]3(C)[c]5([c]6([c]47C)C)C)C)(N(c1c(c1c(c2Cl)N(c2ccccc2)[Ir]2345(O1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)Cl)Cl)c1ccccc1)Cl
• Title of publication: Stepwise Formation of Half-Sandwich Iridium-Based Rectangles Containing 2,5-Diarylamino-1,4-benzoquinone Derivatives Linkers
• Authors of publication: Jia, Wei-Guo; Han, Ying-Feng; Lin, Yue-Jian; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 12
• Pages of publication: 3459
• a: 7.848 ± 0.003 Å
• b: 9.483 ± 0.004 Å
• c: 13.381 ± 0.006 Å
• α: 95.108 ± 0.005°
• β: 96.797 ± 0.005°
• γ: 106.129 ± 0.005°
• Cell volume: 942.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No