Information card for entry 4077036

Structure parameters

• Common name: (dtbpm)Pt[C6H3(CF3)3],(3)
• Formula: C26 H41 F9 P2 Pt
• Calculated formula: C26 H41 F9 P2 Pt
• SMILES: [Pt]12([P](C(C)(C)C)(C(C)(C)C)C[P]1(C(C)(C)C)C(C)(C)C)[C]1(=[CH]2C(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F
• Title of publication: η2-Coordination and C−H Activation of Electron-Poor Arenes
• Authors of publication: Iverson, Carl N.; Lachicotte, Rene J.; Müller, Christian; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 24
• Pages of publication: 5320
• a: 16.0468 ± 0.0008 Å
• b: 10.5316 ± 0.0005 Å
• c: 17.5815 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2971.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0209
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No