Information card for entry 4514623

Structure parameters

• Common name: ZCII_74
• Chemical name: ZCII_74
• Formula: C28 H46 Cl2 F3 Ir O5 P2 S
• Calculated formula: C28 H46 Cl2 F3 Ir O5 P2 S
• Title of publication: Acid-Assisted Hydrogenation of CO2 to Methanol in a Homogeneous Catalytic Cascade System
• Authors of publication: Chu, Wan-Yi; Culakova, Zuzana; Wang, Bernie T.; Goldberg, Karen I.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 9317
• a: 15.492 ± 0.005 Å
• b: 24.393 ± 0.005 Å
• c: 18.535 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7004 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No