Information card for entry 4086178

Structure parameters

• Common name: [(PSi(Cl)P)Pt][EtCB11Cl11]
• Formula: C27 H41 B11 Cl12 P2 Pt Si
• Calculated formula: C27 H41 B11 Cl12 P2 Pt Si
• SMILES: [Pt]12([Si](Cl)(c3c([P]2(C(C)C)C(C)C)cccc3)c2c([P]1(C(C)C)C(C)C)cccc2)[Cl][B]1234[B]567(Cl)[B]892(Cl)[B]2%106(Cl)[C]6%118([B]849(Cl)[B]491(Cl)[B]135(Cl)[B]354(Cl)[B]26(Cl)([B]7%1013Cl)[B]%11895Cl)CC
• Title of publication: Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum
• Authors of publication: DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 3930
• a: 16.208 ± 0.005 Å
• b: 20.077 ± 0.006 Å
• c: 16.004 ± 0.005 Å
• α: 90°
• β: 116.319 ± 0.003°
• γ: 90°
• Cell volume: 4668 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No