Information card for entry 7010059

Structure parameters

• Formula: C68 H76 O2 P2 Rh2 S2
• Calculated formula: C68 H76 O2 P2 Rh2 S2
• SMILES: [Rh]1([S]([Rh]([S]1c1c(cc(cc1C(C)C)C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])c1c(cc(cc1C(C)C)C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• 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: 13.529 ± 0.004 Å
• b: 33.568 ± 0.01 Å
• c: 14.134 ± 0.005 Å
• α: 90°
• β: 104.69 ± 0.05°
• γ: 90°
• Cell volume: 6209 ± 4 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: 0.1006
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.1432
• Weighted residual factors for significantly intense reflections: 0.1356
• Goodness-of-fit parameter for all reflections: 0.973
• Goodness-of-fit parameter for significantly intense reflections: 1.182
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No