Information card for entry 7002225

Structure parameters

• Formula: C12 H20 O5 Pt S
• Calculated formula: C12 H20 O5 Pt S
• SMILES: C(=O)(C(C(=O)C)[Pt]1(OC(=CC(=[O]1)C)C)[S](C)(C)=O)C
• Title of publication: Hard/soft selectivity in ligand substitution reactions of β-diketonate platinum(II) complexes
• Authors of publication: De Pascali, Sandra A.; Papadia, Paride; Capoccia, Serena; Marchiò, Luciano; Lanfranchi, Maurizio; Ciccarese, Antonella; Fanizzi, Francesco P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7786 - 7795
• a: 7.91 ± 0.004 Å
• b: 13 ± 0.005 Å
• c: 15.711 ± 0.008 Å
• α: 90°
• β: 101.63 ± 0.02°
• γ: 90°
• Cell volume: 1582.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No