Information card for entry 7704548

Structure parameters

• Formula: C34.5 H31 Cl O2 P2 Pt S2
• Calculated formula: C34.5 H31 Cl O2 P2 Pt S2
• SMILES: [Pt]12(Sc3c(S1)cc1OCCOc1c3)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Oxidative addition of tetrathiocins to palladium(0) and platinum(0): a route to dithiolate coordination complexes.
• Authors of publication: Watanabe, Lara K.; Wrixon, Justin D.; Ahmed, Zeinab S.; Hayward, John J.; Abbasi, Parisa; Pilkington, Melanie; Macdonald, Charles L. B.; Rawson, Jeremy M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 26
• Pages of publication: 9086 - 9093
• a: 17.8196 ± 0.0007 Å
• b: 20.1432 ± 0.001 Å
• c: 17.8701 ± 0.0009 Å
• α: 90°
• β: 92.049 ± 0.002°
• γ: 90°
• Cell volume: 6410.3 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• 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: 0.0897
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No