Information card for entry 4103201

Structure parameters

• Common name: [SiP(Ph)3]Pt-CH3
• Formula: C63 H61 O2 P3 Pt Si
• Calculated formula: C63 H61 O2 P3 Pt Si
• SMILES: [Pt]123(C)[Si](c4c([P]1(c1ccccc1)c1ccccc1)cccc4)(c1c([P]2(c2ccccc2)c2ccccc2)cccc1)c1c([P]3(c2ccccc2)c2ccccc2)cccc1.O1CCCC1.O1CCCC1
• Title of publication: Four-Coordinate, trigonal Pyramidal Pt(II) and Pd(II) Complexes
• Authors of publication: Charlene Tsay; Neal P. Mankad; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 13975 - 13977
• a: 18.745 ± 0.002 Å
• b: 16.1454 ± 0.0018 Å
• c: 16.911 ± 0.002 Å
• α: 90°
• β: 94.181 ± 0.004°
• γ: 90°
• Cell volume: 5104.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No