Information card for entry 1575740

Structure parameters

• Formula: C23 H46 Cl3 Ir N4 O3 P2 Pd S2
• Calculated formula: C23 H46 Cl3 Ir N4 O3 P2 Pd S2
• Title of publication: Sequential one-pot <i>N</i>-alkylation and aminocarbonylation of primary amines catalyzed by heterobimetallic Ir/Pd complexes.
• Authors of publication: Abdolrahimi, Amin; Woite, Philipp; Kretschmar, Konrad; Roemelt, Michael; Braun, Thomas; He, Ouchan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 41
• Pages of publication: 19414 - 19422
• a: 8.7278 ± 0.0008 Å
• b: 10.1403 ± 0.0008 Å
• c: 20.1959 ± 0.0017 Å
• α: 104.039 ± 0.003°
• β: 92.766 ± 0.003°
• γ: 92.412 ± 0.003°
• Cell volume: 1729.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0172
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No