Information card for entry 7011254

Structure parameters

• Formula: C36.5 H39 Cl N2 O3.5 P Ru S3
• Calculated formula: C36.5 H39 Cl N2 O3.5 P Ru S3
• SMILES: [Ru]12([n]3ccc(cc3c3[n]1ccc(c3)C)C)([S](=O)(C)C)(SC(=O)C(=O)S2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.CCOCC
• Title of publication: Synthesis and reactions of dimethyltin dithiooxalate: a convenient dithiooxalate transfer reagent
• Authors of publication: Christopher J. Adams
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1545 - 1550
• a: 17.182 ± 0.005 Å
• b: 11.229 ± 0.002 Å
• c: 38.208 ± 0.01 Å
• α: 90°
• β: 101.87 ± 0.02°
• γ: 90°
• Cell volume: 7214 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1193
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No