Information card for entry 7027335

Structure parameters

• Formula: C43 H38 Cl N2 O3 P2 Pt
• Calculated formula: C43 H37 Cl N2 O3 P2 Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)N1C(=O)C(C)=CN(C)C1=O.OC
• Title of publication: Synthesis of platinum(II) complexes of thymidine and 1-methylthymine (1-MeThy); crystal structure of cis-[PtCl(1-MeThy)(PPh3)2]
• Authors of publication: De Napoli, Lorenzo; Iacovino, Rosa; Messere, Anna; Montesarchio, Daniela; Piccialli, Gennaro; Romanelli, Alessandra; Ruffo, Francesco; Saviano, Michele
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1945
• a: 11.176 ± 0.008 Å
• b: 13.892 ± 0.009 Å
• c: 13.363 ± 0.012 Å
• α: 97.31 ± 0.06°
• β: 91.32 ± 0.06°
• γ: 88 ± 0.06°
• Cell volume: 2056 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No