Information card for entry 7010062

Structure parameters

• Formula: C19 H17 I3 P Rh S
• Calculated formula: C19 H17 I3 P Rh S
• Title of publication: Rhodium and iridium complexes with thiolate and tertiary phosphine ligands. The synthesis and structures of trans-[Ir(SC6H3Cl2-2,6)(CO)(PPh3)2], [Rh2(?-SC6H3Pri3-2,4,6)2(CO)2(PPh3)2], [Rh2H2(?-SC6H4PPh2-2)2(CO)2(PPh3)2][BF4]2, and [Rh2I6(MeSC6H4PPh2-2)2]
• Authors of publication: Dilworth, Jonathan R.; Morales, David; Zheng, Yifan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 3007
• a: 12.503 ± 0.002 Å
• b: 12.982 ± 0.005 Å
• c: 14.481 ± 0.003 Å
• α: 90 ± 0.013°
• β: 92.51°
• γ: 90°
• Cell volume: 2348.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.0925
• Goodness-of-fit parameter for all reflections: 0.801
• Goodness-of-fit parameter for significantly intense reflections: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No