Information card for entry 4082862

Structure parameters

• Formula: C27 H42 N P Pt Si
• Calculated formula: C27 H42 N P Pt Si
• SMILES: [Pt]1([P](CC[N]1(C)C)(C(C)C)C(C)C)([Si](C)(C)Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Experimental and Theoretical Studies on the Platinum-Mediated Selective C(sp)‒Si Bond Cleavage of Alkynylsilanes
• Authors of publication: Okuda, Yasuhiro; Ishiguro, Yuya; Mori, Seiji; Nakajima, Kiyohiko; Nishihara, Yasushi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1878
• a: 10.0965 ± 0.0004 Å
• b: 17.5781 ± 0.0008 Å
• c: 16.768 ± 0.0007 Å
• α: 90°
• β: 104.736 ± 0.001°
• γ: 90°
• Cell volume: 2878.1 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No