Information card for entry 4089493

Structure parameters

• Formula: C16 H20 N2 Pd S2
• Calculated formula: C16 H20 N2 Pd S2
• SMILES: [Pd]1([n]2c3cccc2CSCc2[n]1c(ccc2)CSC3)(C)C
• Title of publication: Oxidative Reactivity of (N2S2)PdRX Complexes (R = Me, Cl; X = Me, Cl, Br): Involvement of Palladium(III) and Palladium(IV) Intermediates
• Authors of publication: Luo, Jia; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3343
• a: 12.293 ± 0.006 Å
• b: 8.458 ± 0.004 Å
• c: 15.964 ± 0.008 Å
• α: 90°
• β: 90.93 ± 0.03°
• γ: 90°
• Cell volume: 1659.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No