Information card for entry 4080146

Structure parameters

• Formula: C14 H17 Au Cl P
• Calculated formula: C14 H17 Au Cl P
• SMILES: C1(=C(C(=C(C)[P]1(c1ccccc1)[Au]Cl)C)C)C
• Title of publication: Gold Phosphole Complexes as Efficient Catalysts for Alkyne Activation
• Authors of publication: Fourmy, Kévin; Mallet-Ladeira, Sonia; Dechy-Cabaret, Odile; Gouygou, Maryse
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1571 - 1574
• a: 8.6475 ± 0.0002 Å
• b: 12.3083 ± 0.0003 Å
• c: 13.467 ± 0.0003 Å
• α: 90°
• β: 90.181 ± 0.002°
• γ: 90°
• Cell volume: 1433.37 ± 0.06 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No