Information card for entry 7020989

Structure parameters

• Formula: C11 H11 Br Cl2 N2 Pd S
• Calculated formula: C11 H11 Br Cl2 N2 Pd S
• SMILES: Brc1cn2CC[S](c3ccccc3)[Pd](Cl)(Cl)[n]2c1
• Title of publication: Palladium(ii) complexes of pyrazolated thio/selenoethers: syntheses, structures, single source precursors of Pd(4)Se and PdSe nano-particles and potential for catalyzing Suzuki-Miyaura coupling.
• Authors of publication: Sharma, Kamal Nayan; Joshi, Hemant; Singh, Ved Vati; Singh, Pradhumn; Singh, Ajai Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3908 - 3918
• a: 16.521 ± 0.008 Å
• b: 8.197 ± 0.004 Å
• c: 10.474 ± 0.005 Å
• α: 90°
• β: 96.026 ± 0.009°
• γ: 90°
• Cell volume: 1410.6 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0309
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No