Information card for entry 7716468

Structure parameters

• Formula: C27 H36 Cl Ir N P S
• Calculated formula: C27 H36 Cl Ir N P S
• Title of publication: Synthesis and catalytic activity of heterobimetallic Au/M (M = RhIII, IrIII) complexes with ditopic mono- and triphosphane ligands
• Authors of publication: Predarska, Ivana; Körber, Wieland; Lönnecke, Peter; Gelman, Dmitri; Hey-Hawkins, Evamarie
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 23.3145 ± 0.0003 Å
• b: 13.9626 ± 0.0002 Å
• c: 7.9484 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2587.45 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No