Information card for entry 7002090

Structure parameters

• Formula: C32 H30 Br N5 O3 Pd S
• Calculated formula: C32 H30 Br N5 O3 Pd S
• Title of publication: Syntheses and catalytic activities of pseudo-pincer and CSC pincer-type Pd(II) complexes derived from benzannulated N-heterocyclic carbenes
• Authors of publication: Huynh, Han Vinh; Yuan, Dan; Han, Yuan
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7262
• a: 31.2166 ± 0.0019 Å
• b: 11.173 ± 0.0007 Å
• c: 17.0257 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5938.3 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No