Information card for entry 7039763

Structure parameters

• Formula: C14 H21 Cl2 N2 P Pd
• Calculated formula: C14 H21 Cl2 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P]2(C(=C(C(=C2C)C)C)C)c2n([N]1(C)C)ccc2
• Title of publication: Platinum-catalysed intermolecular addition of carbonyl compounds to 1,6-enynes: investigation of a new reaction pathway.
• Authors of publication: Fourmy, Kévin; El Louz, Mohamed; Mallet-Ladeira, Sonia; Daran, Jean-Claude; Dechy-Cabaret, Odile; Gouygou, Maryse
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 34
• Pages of publication: 13294 - 13299
• a: 11.598 ± 0.005 Å
• b: 13.656 ± 0.005 Å
• c: 12.222 ± 0.005 Å
• α: 90 ± 0.005°
• β: 117.992 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1709.3 ± 1.2 ų
• Cell temperature: 181 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0287
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No