Information card for entry 7002226

Structure parameters

• Formula: C12 H20 O4 Pt S
• Calculated formula: C12 H20 O4 Pt S
• SMILES: [Pt]1(OC(=CC(=[O]1)C)C)([S](C)C)C(C(=O)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: 8.766 ± 0.001 Å
• b: 14.185 ± 0.002 Å
• c: 25.006 ± 0.003 Å
• α: 90°
• β: 93.561 ± 0.002°
• γ: 90°
• Cell volume: 3103.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No