Information card for entry 7709905

Structure parameters

• Chemical name: BM177
• Formula: C29 H40 Cl4 N2 Pt S
• Calculated formula: C29 H40 Cl4 N2 Pt S
• SMILES: [Pt](Cl)(Cl)([S](C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C(Cl)=C(Cl)N1c1c(cccc1C(C)C)C(C)C
• 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: 9.948 ± 0.0001 Å
• b: 17.518 ± 0.0001 Å
• c: 17.8162 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3104.81 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No