Information card for entry 7031413

Structure parameters

• Formula: C32 H26 N O2 P Pd S
• Calculated formula: C32 H26 N O2 P Pd S
• SMILES: [Pd]12(Oc3ccccc3C=[N]1c1ccc(OC)cc1)[S]=P(c1c2cccc1)(c1ccccc1)c1ccccc1
• Title of publication: ortho-Metallated triphenylphosphine chalcogenide complexes of platinum and palladium: synthesis and catalytic activity.
• Authors of publication: Privér, Steven H; Bennett, Martin A.; Willis, Anthony C.; Pottabathula, Srinivas; Lakshmi Kantam, M.; Bhargava, Suresh K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12000 - 12012
• a: 10.2542 ± 0.0002 Å
• b: 11.4908 ± 0.0002 Å
• c: 12.9393 ± 0.0003 Å
• α: 106.114 ± 0.0009°
• β: 109.715 ± 0.0012°
• γ: 96.5437 ± 0.0012°
• Cell volume: 1342.05 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for all reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No