Information card for entry 4113915

Structure parameters

• Common name: [Ph2BP2[Pt(Me)(THF)2THF
• Formula: C51 H61 B O3 P2 Pt
• Calculated formula: C51 H61 B O3 P2 Pt
• SMILES: [Pt]1([P](C[B](c2ccccc2)(c2ccccc2)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C)[O]1CCCC1.O1CCCC1.O1CCCC1
• 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: 12.21 ± 0.004 Å
• b: 12.803 ± 0.004 Å
• c: 16.205 ± 0.005 Å
• α: 109.614 ± 0.005°
• β: 104.361 ± 0.005°
• γ: 96.489 ± 0.005°
• Cell volume: 2257.6 ± 1.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No