Information card for entry 7005934

Structure parameters

• Formula: C17 H14 Br2 N2 Pd S2
• Calculated formula: C17 H14 Br2 N2 Pd S2
• SMILES: [Pd](Br)(Br)([n]1csc2c1cccc2)=C1Sc2c(N1CC=C)cccc2
• Title of publication: Pd(II) complexes of N,S-heterocyclic carbenes with pendant and coordinated allyl function and their Suzuki coupling activities.
• Authors of publication: Yen, Swee Kuan; Koh, Lip Lin; Huynh, Han Vinh; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3952 - 3958
• a: 8.541 ± 0.0009 Å
• b: 9.6467 ± 0.001 Å
• c: 12.0119 ± 0.0013 Å
• α: 88.974 ± 0.003°
• β: 82.492 ± 0.003°
• γ: 75.166 ± 0.002°
• Cell volume: 948.38 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1314
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No