Information card for entry 4066901

Structure parameters

• Formula: C37 H32 Cl N P2 Pd S
• Calculated formula: C37 H32 Cl N P2 Pd S
• SMILES: [Pd]1(Cl)(SCP(=[N]1c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Facile Synthesis of Bifunctional Ligands using LiCH2PPh2═NPh Obtained from [PhNH−PPh3+][Br−]
• Authors of publication: Cao, Thi-Phuong-Anh; Payet, Elina; Auffrant, Audrey; Le Goff, Xavier F.; Le Floch, Pascal
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3991
• a: 9.612 ± 0.001 Å
• b: 16.43 ± 0.001 Å
• c: 21.208 ± 0.001 Å
• α: 90°
• β: 102.922 ± 0.001°
• γ: 90°
• Cell volume: 3264.5 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0755
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No