Information card for entry 7031408

Structure parameters

• Formula: C36 H29 Cl P2 Pd S
• Calculated formula: C36 H29 Cl P2 Pd S
• SMILES: [Pd]1(Cl)([S]=P(c2c1cccc2)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(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: 9.1347 ± 0.0001 Å
• b: 10.9341 ± 0.0002 Å
• c: 15.6582 ± 0.0003 Å
• α: 86.9669 ± 0.0009°
• β: 84.7318 ± 0.0011°
• γ: 76.1404 ± 0.0011°
• Cell volume: 1511.22 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No