Information card for entry 4135612

Structure parameters

• Formula: C38 H52 Ir2 N4 O14 S2
• Calculated formula: C38 H52 Ir2 N4 O14 S2
• Title of publication: Catalytic Hydrogenation of CO₂ to Methanol Using Multinuclear Iridium Complexes in a Gas-Solid Phase Reaction.
• Authors of publication: Kanega, Ryoichi; Onishi, Naoya; Tanaka, Shinji; Kishimoto, Haruo; Himeda, Yuichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 3
• Pages of publication: 1570 - 1576
• a: 10.162 ± 0.006 Å
• b: 10.528 ± 0.006 Å
• c: 10.914 ± 0.005 Å
• α: 64.682 ± 0.009°
• β: 89.99 ± 0.02°
• γ: 89.904 ± 0.016°
• Cell volume: 1055.5 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0379
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No