Information card for entry 4086179

Structure parameters

• Formula: C33 H48 P2 Pt Si
• Calculated formula: C33 H48 P2 Pt Si
• SMILES: c12ccccc1[P](C(C)C)(C(C)C)[Pt]1(c3c(cc(cc3C)C)C)[P](c3c(cccc3)[SiH]21)(C(C)C)C(C)C
• 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: 8.186 ± 0.0004 Å
• b: 17.9079 ± 0.0009 Å
• c: 21.7954 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3195.1 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0392
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No