Information card for entry 7009794

Structure parameters

• Common name: THIOSALICYLATO(TRIPHENYLPHOSPHINE)(xylylisocyanide)PLATINUM(II)
• Formula: C37 H34 N O3 P Pt S
• Calculated formula: C37 H34 N O3 P Pt S
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(Sc2ccccc2C(=O)O1)C#[N]c1c(cccc1C)C.O=C(C)C
• Title of publication: Synthesis and biological activity of platinum(II) and palladium(II) thiosalicylate complexes with mixed ancillary donor ligands
• Authors of publication: Henderson, William; McCaffrey, Louise J.; Nicholson, Brian K.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 2753
• a: 10.5158 ± 0.0001 Å
• b: 15.1613 ± 0.0002 Å
• c: 21.4698 ± 0.0002 Å
• α: 73.346 ± 0.001°
• β: 85.576 ± 0.001°
• γ: 87.63 ± 0.001°
• Cell volume: 3268.98 ± 0.06 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No