Information card for entry 4126144

Structure parameters

• Formula: C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2
• Calculated formula: C29 H36 Cl2 F12 I2 N4 P2 Pt Sb2
• SMILES: [Pt]1(I)(I)[P](C2=[N+](C)CCN2C)(c2c([P]1(c1ccccc1)c1ccccc1)cccc2)C1=[N+](C)CCN1C.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)([F-])(F)F.ClCCl
• Title of publication: α-Dicationic Chelating Phosphines: Synthesis and Application to the Hydroarylation of Dienes.
• Authors of publication: Gu, Lianghu; Wolf, Lawrence M.; Zieliński, Adam; Thiel, Walter; Alcarazo, Manuel
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 13
• Pages of publication: 4948 - 4953
• a: 17.976 ± 0.006 Å
• b: 14.1503 ± 0.0012 Å
• c: 17.202 ± 0.005 Å
• α: 90°
• β: 100.4 ± 0.03°
• γ: 90°
• Cell volume: 4304 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No