Information card for entry 7001012

Structure parameters

• Formula: C74 H74 F6 N4 O8 P4 Pt2 S4
• Calculated formula: C74 H74 F6 N4 O8 P4 Pt2 S4
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CCC[P](c2ccccc2)([Pt]21[S](CCNC(=O)Nc1ccccc1)[Pt]1([P](c3ccccc3)(c3ccccc3)CCC[P]1(c1ccccc1)c1ccccc1)[S]2CCNC(=O)Nc1ccccc1)c1ccccc1.C(F)(S(=O)(=O)[O-])(F)F.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Di-platinum complexes containing thiolato-urea ligands: structural and anion binding studies
• Authors of publication: Mendoza, Carolina; Benet-Buchholz, Jordi; Pericás, Miquel A.; Vilar, Ramón
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 2974 - 2985
• a: 12.3835 ± 0.001 Å
• b: 12.9382 ± 0.0011 Å
• c: 13.758 ± 0.0011 Å
• α: 66.789 ± 0.003°
• β: 87.151 ± 0.004°
• γ: 70.619 ± 0.004°
• Cell volume: 1902.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2478
• Weighted residual factors for all reflections included in the refinement: 0.2775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No