Information card for entry 7705655

Structure parameters

• Formula: C18 H31 Cl5 N2 Pt S
• Calculated formula: C18 H31 Cl5 N2 Pt S
• SMILES: [Pt](Cl)(Cl)([S](C)C)=C1N(C=CN1C1CCCCC1)C1CCCCC1.ClC(Cl)Cl
• Title of publication: A general protocol for the synthesis of Pt-NHC (NHC = N-heterocyclic carbene) hydrosilylation catalysts.
• Authors of publication: Maliszewski, Benon P.; Tzouras, Nikolaos V.; Guillet, Sébastien G; Saab, Marina; Beliš, Marek; Van Hecke, Kristof; Nahra, Fady; Nolan, Steven P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14673 - 14679
• a: 12.7694 ± 0.0001 Å
• b: 19.3085 ± 0.0002 Å
• c: 20.1949 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4979.21 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0551
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No