Information card for entry 7133459

Structure parameters

• Formula: C50 H43 Cl2 F6 Ir N4 O6 P2 Ru S2
• Calculated formula: C50 H38 Cl2 F6 Ir N4 O6 P2 Ru S2
• Title of publication: Bimetallic Ru-Ir/Rh complexes for catalytic allyl alcohol reduction to propylene.
• Authors of publication: Kawaji, Kanade; Tsujiwaki, Mina; Kiso, Ayaka; Kitajo, Yukina; Kitamura, Manami; Nishimura, Minako; Horikawa, Junya; Ikushuma, Haruto; Takemoto, Shin; Matsuzaka, Hiroyuki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 70
• Pages of publication: 9424 - 9427
• a: 13.0649 ± 0.0004 Å
• b: 14.1192 ± 0.0005 Å
• c: 15.099 ± 0.0006 Å
• α: 79.524 ± 0.006°
• β: 69.725 ± 0.005°
• γ: 87.357 ± 0.006°
• Cell volume: 2568.7 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No