Information card for entry 7134903

Structure parameters

• Formula: C69 H73 B2 Cl2 F4 Ir N4
• Calculated formula: C69 H73 B2 Cl2 F4 Ir N4
• Title of publication: Covalently linked triarylborane-iridium(III) complex as a photocatalyst for CO₂ reduction.
• Authors of publication: Fukumoto, Ryo; Yokoo, Takuya; Sakuda, Eri; Omoto, Kenichiro; Horiuchi, Shinnosuke; Arikawa, Yasuhiro; Umakoshi, Keisuke
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 77
• Pages of publication: 14943 - 14946
• a: 24.023 ± 0.006 Å
• b: 13.643 ± 0.003 Å
• c: 19.181 ± 0.005 Å
• α: 90°
• β: 100.954 ± 0.004°
• γ: 90°
• Cell volume: 6172 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.196
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No