Information card for entry 7705654

Structure parameters

• Chemical name: BM49
• Formula: C29 H43 Cl3 N2 Pt S
• Calculated formula: C29 H43 Cl3 N2 Pt S
• SMILES: [Pt](Cl)(Cl)([S](C)C)Cl.n1(c2c(cccc2C(C)C)C(C)C)cc[n+](c1)c1c(cccc1C(C)C)C(C)C
• 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: 9.0077 ± 0.0004 Å
• b: 12.2861 ± 0.0005 Å
• c: 14.3802 ± 0.0005 Å
• α: 79.673 ± 0.003°
• β: 89.901 ± 0.003°
• γ: 81.924 ± 0.004°
• Cell volume: 1549.69 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No