Information card for entry 4300810

Structure parameters

• Common name: [Ph3PCH2Ph][PtCl5{NHC(Et)ON(CH2Ph)2}]
• Formula: C42 H42 Cl5 N2 O P Pt
• Calculated formula: C42 H42 Cl5 N2 O P Pt
• SMILES: [Pt](Cl)(Cl)(Cl)(Cl)(Cl)[NH]=C(ON(Cc1ccccc1)Cc1ccccc1)CC.[P+](Cc1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Kinetic and Mechanistic Study of the Pt(II) versus Pt(IV) Effect in the Platinum-Mediated Nitrile‒Hydroxylamine Coupling
• Authors of publication: Luzyanin, Konstantin V.; Kukushkin, Vadim Yu.; Ryabov, Alexander D.; Haukka, Matti; Pombeiro, Armando J. L.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2944 - 2953
• a: 10.0914 ± 0.0007 Å
• b: 19.504 ± 0.002 Å
• c: 42.279 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8321.5 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1187
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No