Information card for entry 4324592

Structure parameters

• Common name: cis-[Pt(CH2C6H4CH3)2(PEt3)2]
• Formula: C28 H48 P2 Pt
• Calculated formula: C28 H48 P2 Pt
• SMILES: [P]([Pt](Cc1ccc(cc1)C)([P](CC)(CC)CC)Cc1ccc(cc1)C)(CC)(CC)CC
• Title of publication: Mechanistic Insight into Protonolysis and Cis-Trans Isomerization of Benzylplatinum(II) Complexes Assisted by Weak Ligand-to-Metal Interactions. A Combined Kinetic and DFT Study
• Authors of publication: Emanuela Guido; Giuseppina D'Amico; Nino Russo; Emilia Sicilia; Silvia Rizzato; Alberto Albinati; Andrea Romeo; M. Rosaria Plutino; Raffaello Romeo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2224 - 2239
• a: 16.596 ± 0.005 Å
• b: 10.149 ± 0.005 Å
• c: 17.844 ± 0.005 Å
• α: 90 ± 0.005°
• β: 100.179 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2958.2 ± 1.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No