Information card for entry 7133461

Structure parameters

• Formula: C50 H53 B2 F8 Fe Ir N4 P2
• Calculated formula: C50 H52 B2 F8 Fe Ir N4 P2
• 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: 10.3466 ± 0.0005 Å
• b: 13.4938 ± 0.0006 Å
• c: 19.4429 ± 0.0008 Å
• α: 99.672 ± 0.007°
• β: 102.51 ± 0.007°
• γ: 106.984 ± 0.007°
• Cell volume: 2455.5 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No