Information card for entry 1550935

Structure parameters

• Formula: C38 H53 F6 Ir2 N4 O8.5 Si4
• Calculated formula: C38 H53 F6 Ir2 N4 O8.5 Si4
• Title of publication: Ir-Catalyzed Selective Reduction of CO2 to Methoxy or Formate Level with HSiMe(OSiMe3)2
• Authors of publication: Guzman, Jefferson; García-Orduña, Pilar; Polo, Victor; Lahoz, Fernando J.; Oro, Luis A.; Fernandez-Alvarez, Francisco J
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2019
• a: 11.4358 ± 0.0006 Å
• b: 13.0237 ± 0.0007 Å
• c: 17.6415 ± 0.0009 Å
• α: 90.226 ± 0.001°
• β: 106.899 ± 0.001°
• γ: 101.886 ± 0.001°
• Cell volume: 2454.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No