Information card for entry 4518194

Structure parameters

• Formula: C14 H14 Br2 N2 Pt S
• Calculated formula: C14 H14 Br2 N2 Pt S
• SMILES: Br[Pt]1(Br)(C)(C)[n]2c(c3[n]1c1ccccc1s3)cccc2
• Title of publication: Ligand-Mediated C‒Br Oxidative Addition to Cycloplatinated(II) Complexes and Benzyl-Me C‒C Bond Reductive Elimination from a Cycloplatinated(IV) Complex
• Authors of publication: Bavi, Marzieh; Nabavizadeh, S. Masoud; Hosseini, Fatemeh Niroomand; Niknam, Fatemeh; Hamidizadeh, Peyman; Hoseini, S. Jafar; Raoof, Fatemeh; Abu-Omar, Mahdi M.
• Journal of publication: ACS Omega
• Year of publication: 2020
• a: 9.3985 ± 0.0011 Å
• b: 12.781 ± 0.0015 Å
• c: 25.714 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3088.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.074
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No