Information card for entry 4072920

Structure parameters

• Formula: C21 H23 N O Pt S
• Calculated formula: C21 H23 N O Pt S
• SMILES: [Pt]1(c2ccccc2c2[n]1cccc2)([S](=O)(C)C)c1cc(cc(c1)C)C
• Title of publication: Monoarylplatinum(II) Complexes with a 2-Phenylpyridyl Ligand and Coordinated Solvent, [Pt(Ar)(Phpy)(solv)] (Phpy = 2-phenylpyridyl; solv = NCCH3, dmso). Preparation from [Pt(Ar)2(solv)2], Structures, and Chemical Properties
• Authors of publication: Yagyu, Takeyoshi; Ohashi, Jun-ichi; Maeda, Masunobu
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 9
• Pages of publication: 2383
• a: 8.699 ± 0.002 Å
• b: 19.281 ± 0.003 Å
• c: 23.397 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3924.3 ± 1.3 ų
• Cell temperature: 173.2 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 significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No