Information card for entry 1559195

Structure parameters

• Formula: C20 H36 Cl Ir N O4 P
• Calculated formula: C20 H36 Cl Ir N O4 P
• SMILES: [IrH]123(Cl)[P](Oc4c(OC)ccc(c34)C[N]2(CCOC)CC[O]1C)(C(C)C)C(C)C
• Title of publication: Decarbonylative Ether Dissection by Iridium Pincer Complexes
• Authors of publication: Yoo, Changho; Dodge, Henry M.; Farquhar, Alexandra; Gardner, Kristen E.; Miller, Alexander James Minden
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 13.6475 ± 0.0005 Å
• b: 8.789 ± 0.0003 Å
• c: 19.5773 ± 0.0007 Å
• α: 90°
• β: 99.5079 ± 0.0012°
• γ: 90°
• Cell volume: 2316 ± 0.14 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0214
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for all reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1849
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No