Information card for entry 7716027

Structure parameters

• Formula: C73 H68 Cl2 Ir2 N8 O6
• Calculated formula: C73 H68 Cl2 Ir2 N8 O6
• Title of publication: A ratiometric substrate for rapid evaluation of transfer hydrogenation efficiency in solution.
• Authors of publication: Young, Yen-An; Nguyen, Huong T. H.; Nguyen, Hieu D.; Ganguly, Tuhin; Nguyen, Yennie H.; Do, Loi H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 8887 - 8892
• a: 12.4845 ± 0.0004 Å
• b: 26.7158 ± 0.0007 Å
• c: 10.6048 ± 0.0003 Å
• α: 90°
• β: 92.362 ± 0.002°
• γ: 90°
• Cell volume: 3534.05 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0644
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No