Information card for entry 4077037

Structure parameters

• Common name: (dtbpm)Pt[C12H7(CF3)3],(9)
• Formula: C32 H45 F9 P2 Pt
• Calculated formula: C32 H45 F9 P2 Pt
• SMILES: [Pt]12([P](C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[CH]1=[C]2(C=C(C=C1c1ccc(cc1)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: 9.2656 ± 0.0004 Å
• b: 9.7282 ± 0.0004 Å
• c: 20.1575 ± 0.0009 Å
• α: 91.458 ± 0.001°
• β: 99.364 ± 0.001°
• γ: 107.785 ± 0.001°
• Cell volume: 1701.59 ± 0.13 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No