Information card for entry 4113913

Structure parameters

• Common name: (Ph2SiP2)Pt(Me)2toluene
• Formula: C47 H48 P2 Pt Si
• Calculated formula: C47 H48 P2 Pt Si
• SMILES: [Pt]1([P](C[Si](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C.Cc1ccccc1
• Title of publication: Zwitterionic and Cationic Bis(phosphine) Platinum(II) Complexes: Structural, Electronic, and Mechanistic Comparisons Relevant to Ligand Exchange and Benzene C-H Activation Processes
• Authors of publication: J. Christopher Thomas; Jonas C. Peters
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 8870 - 8888
• a: 12.4923 ± 0.0009 Å
• b: 21.3358 ± 0.0016 Å
• c: 14.6898 ± 0.0011 Å
• α: 90°
• β: 90.021 ± 0.001°
• γ: 90°
• Cell volume: 3915.3 ± 0.5 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 5
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0546
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No