Information card for entry 7058335

Structure parameters

• Formula: C32 H34 N2 O2 Pt2 S2
• Calculated formula: C32 H34 N2 O2 Pt2 S2
• Title of publication: Arene C‒H bond activation and methane formation by a methylplatinum(ii) complex: experimental and theoretical elucidation of the mechanism
• Authors of publication: Nahaei, Asma; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Hoseini, S. Jafar; Abu-Omar, Mahdi M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 8005
• a: 16.974 ± 0.003 Å
• b: 9.8965 ± 0.0016 Å
• c: 17.603 ± 0.003 Å
• α: 90°
• β: 98.327 ± 0.008°
• γ: 90°
• Cell volume: 2925.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No