Information card for entry 4068734

Structure parameters

• Chemical name: [k2-(Ph2PCH2CH2SMe)-k1-(Ph2PCH2CH2SPh)ClPd]Cl
• Formula: C35 H36 Cl2 P2 Pd S2
• Calculated formula: C35 H36 Cl2 P2 Pd S2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC[S](C)[Pd]1([P](c1ccccc1)(c1ccccc1)CCSc1ccccc1)Cl.[Cl-]
• Title of publication: Reversible Ligand Pairing and Sorting Processes Leading to Heteroligated Palladium(II) Complexes with Hemilabile Ligands
• Authors of publication: Ulmann, Pirmin A.; Mirkin, Chad A.; DiPasquale, Antonio G.; Liable-Sands, Louise M.; Rheingold, Arnold L.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1068
• a: 9.835 ± 0.005 Å
• b: 12.815 ± 0.007 Å
• c: 14.592 ± 0.008 Å
• α: 102.884 ± 0.007°
• β: 107.206 ± 0.007°
• γ: 94.91 ± 0.007°
• Cell volume: 1689.7 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.057
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No