Information card for entry 4313140

Structure parameters

• Formula: C26 H42 Cl2 F3 N O5 P2 Pt S
• Calculated formula: C26 H42 Cl2 F3 N O5 P2 Pt S
• SMILES: [Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)([n]1ccc(cc1)C(=O)O)c1ccccc1.ClCCl.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Cationic σ-Phenylplatinum(II) Complexes with Carboxylic Acid Functionality: pKa Determinations and X-ray Structures
• Authors of publication: Michael G. Crisp; Edward R. T. Tiekink; Louis M. Rendina
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1057 - 1063
• a: 9.735 ± 0.002 Å
• b: 10.839 ± 0.004 Å
• c: 17.265 ± 0.008 Å
• α: 92.47 ± 0.04°
• β: 94.93 ± 0.03°
• γ: 105.19 ± 0.04°
• Cell volume: 1747.5 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No