Information card for entry 4113914

Structure parameters

• Common name: (dppp)Pt(Me)2
• Formula: C29 H32 P2 Pt
• Calculated formula: C29 H32 P2 Pt
• SMILES: [Pt]1([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)C
• 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: 15.4697 ± 0.001 Å
• b: 16.0349 ± 0.001 Å
• c: 20.7479 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5146.6 ± 0.6 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 K
• Number of distinct elements: 4
• 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: 0.0226
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No