Information card for entry 4516934

Structure parameters

• Formula: C30 H44 P2 Pt S2
• Calculated formula: C30 H44 P2 Pt S2
• SMILES: C(#Cc1ccc(cc1)SC)[Pt](C#Cc1ccc(cc1)SC)([P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: The <i>trans</i>-Bis(<i>p</i>-thioetherphenylacetynyl)bis(phosphine)platinum(II) Ligands: A Step towards Predictability and Crystal Design.
• Authors of publication: Juvenal, Frank; Bonnot, Antoine; Fortin, Daniel; Harvey, Pierre D.
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 7433 - 7443
• a: 8.724 ± 0.004 Å
• b: 9.467 ± 0.005 Å
• c: 11.201 ± 0.005 Å
• α: 98.149 ± 0.015°
• β: 102.16 ± 0.009°
• γ: 116.678 ± 0.011°
• Cell volume: 777.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0149
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No