Information card for entry 4065720

Structure parameters

• Formula: C36 H50 Mo P2 Pt Si
• Calculated formula: C36 H50 Mo P2 Pt Si
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)[Si]([c]23[Mo]456789%10%11%12([c]%131[cH]4[cH]5[cH]6[cH]7[cH]8%13)[cH]2[cH]9[cH]%10[cH]%11[cH]3%12)(c1ccccc1)c1ccccc1
• Title of publication: Insertion of [Pt(PEt3)2] into a Strained Si−C Bond of Diphenylsila[1]molybdarenophane
• Authors of publication: Lund, Clinton L.; Bagh, Bidraha; Quail, J. Wilson; Müller, Jens
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1977
• a: 11.8115 ± 0.0003 Å
• b: 17.6336 ± 0.0003 Å
• c: 19.7795 ± 0.0004 Å
• α: 90°
• β: 122.142 ± 0.001°
• γ: 90°
• Cell volume: 3488.25 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No