Information card for entry 7240092

Structure parameters

• Formula: C34 H49 F6 Ir2 N4 O10.5 S2 Si4
• Calculated formula: C34 H48 F6 Ir2 N4 O10 S2 Si4
• Title of publication: Unprecedent formation of methylsilylcarbonates from iridium-catalyzed reduction of CO2 with hydrosilanes
• Authors of publication: Guzmán, Jefferson; García-Orduña, Pilar; Lahoz, Fernando J.; Fernández-Alvarez, Francisco J.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 9582 - 9586
• a: 9.0468 ± 0.0005 Å
• b: 12.0453 ± 0.0006 Å
• c: 12.0619 ± 0.0007 Å
• α: 66.472 ± 0.001°
• β: 88.546 ± 0.001°
• γ: 88.769 ± 0.001°
• Cell volume: 1204.65 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0134
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No