Information card for entry 7016909

Structure parameters

• Common name: k01prr15 1a
• Formula: C16 H22 O2 S Si2
• Calculated formula: C16 H22 O2 S Si2
• SMILES: C1COc2c(c(C#C[Si](C)(C)C)sc2C#C[Si](C)(C)C)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: 7.3848 ± 0.0004 Å
• b: 27.2437 ± 0.0012 Å
• c: 9.4632 ± 0.0006 Å
• α: 90°
• β: 99.407 ± 0.002°
• γ: 90°
• Cell volume: 1878.29 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No