Information card for entry 7002091

Structure parameters

• Formula: C32 H33.5 Br2 N4 O S
• Calculated formula: C32 H33.56 Br2 N4 O0.78 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: 11.504 ± 0.003 Å
• b: 11.595 ± 0.003 Å
• c: 12.552 ± 0.003 Å
• α: 96.355 ± 0.005°
• β: 99.264 ± 0.005°
• γ: 98.275 ± 0.005°
• Cell volume: 1619.8 ± 0.7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.1055
• Residual factor for significantly intense reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No