Information card for entry 1559194

Structure parameters

• Formula: C37 H66 Cl4 Ir2 N2 O4 P2
• Calculated formula: C37 H66 Cl4 Ir2 N2 O4 P2
• 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: 11.7045 ± 0.0005 Å
• b: 14.2405 ± 0.0006 Å
• c: 14.5938 ± 0.0006 Å
• α: 72.905 ± 0.002°
• β: 75.656 ± 0.002°
• γ: 88.106 ± 0.002°
• Cell volume: 2250.44 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No