Information card for entry 7709901

Structure parameters

• Chemical name: BM176
• Formula: C31.5 H60 Cl2 N2 Pt S
• Calculated formula: C29 H54 Cl2 N2 Pt S
• SMILES: [Pt](Cl)(Cl)([S](C)C)=C1N(C=CN1C1CCCCCCCCCCC1)C1CCCCCCCCCCC1
• Title of publication: A green route to platinum N-heterocyclic carbene complexes: mechanism and expanded scope
• Authors of publication: Maliszewski, Benon P.; Ritacco, Ida; Beliš, Marek; Hashim, Ishfaq Ibni; Tzouras, Nikolaos V.; Caporaso, Lucia; Cavallo, Luigi; Van Hecke, Kristof; Nahra, Fady; Cazin, Catherine S. J.; Nolan, Steven P.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 31.8125 ± 0.0004 Å
• b: 31.8125 ± 0.0004 Å
• c: 17.7813 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15584.4 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No