Information card for entry 7016910

Structure parameters

• Common name: k01prr31 1M
• Formula: C46 H74 O2 P4 Pt2 S
• Calculated formula: C46 H74 O2 P4 Pt2 S
• SMILES: C1COc2c(c(C#C[Pt](c3ccccc3)([P](CC)(CC)CC)[P](CC)(CC)CC)sc2C#C[Pt](c2ccccc2)([P](CC)(CC)CC)[P](CC)(CC)CC)O1
• Title of publication: Synthesis and characterization of platinum(ii) di-ynes and poly-ynes incorporating ethylenedioxythiophene (EDOT) spacers in the backbone.
• Authors of publication: Khan, Muhammad S.; Al-Suti, Mohammed K; Shah, Hakkikulla H.; Al-Humaimi, Said; Al-Battashi, Fathiya R; Bjernemose, Jens K.; Male, Louise; Raithby, Paul R.; Zhang, Ning; Köhler, Anna; Warren, John E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 39
• Pages of publication: 10174 - 10183
• a: 31.894 ± 0.0003 Å
• b: 9.661 ± 0.0001 Å
• c: 33.603 ± 0.0004 Å
• α: 90°
• β: 103.24 ± 0.001°
• γ: 90°
• Cell volume: 10078.8 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No