Information card for entry 7020992

Structure parameters

• Formula: C10 H12 B Br2 Cl F4 N4 Pd Se
• Calculated formula: C10 H12 B Br2 Cl F4 N4 Pd Se
• SMILES: [B](F)(F)(F)[F-].Brc1c[n]2n(c1)CC[Se]1CCn3cc(Br)c[n]3[Pd]21Cl
• 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: 15.142 ± 0.004 Å
• b: 11.09 ± 0.003 Å
• c: 11.001 ± 0.003 Å
• α: 90°
• β: 102.924 ± 0.005°
• γ: 90°
• Cell volume: 1800.5 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 9
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No