Information card for entry 4069899

Structure parameters

• Formula: C23 H14 Cl2 F10 N2 Pt
• Calculated formula: C23 H14 Cl2 F10 N2 Pt
• SMILES: [Pt]1([N](=Cc2c(Cl)cccc2Cl)CC[N]1(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Kinetico-Mechanistic Insight into the Platinum-Mediated C−C Coupling of Fluorinated Arenes
• Authors of publication: Calvet, Teresa; Crespo, Margarita; Font-Bardia, Mercè; Gómez, Kerman; González, Gabriel; Martínez, Manuel
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 5096
• a: 12.271 ± 0.005 Å
• b: 13.321 ± 0.003 Å
• c: 15.371 ± 0.005 Å
• α: 90°
• β: 95.64 ± 0.02°
• γ: 90°
• Cell volume: 2500.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No