Information card for entry 4115612

Structure parameters

• Formula: C35 H26 Cl2 F12 N2 Pt
• Calculated formula: C35 H26 Cl2 F12 N2 Pt
• SMILES: C1(C(C)=[N]([Pt]([N]=1c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1c(cccc1)C)c1c(cccc1)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C.ClCCl
• Title of publication: Unexpected Selectivities in C-H Activations of Toluene and p-Xylene at Cationic Platinum(II) Diimine Complexes. New Mechanistic Insight into Product-Determining Factors
• Authors of publication: Lars Johansson; Olav B. Ryan; Christian Rømming; Mats Tilset
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2001
• Journal volume: 123
• Pages of publication: 6579 - 6590
• a: 14.6594 ± 0.0018 Å
• b: 25.664 ± 0.003 Å
• c: 9.6242 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3620.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.219
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No