Information card for entry 7021284

Structure parameters

• Formula: C26 H27 Br2 N7 O Pd
• Calculated formula: C26 H27 Br2 N7 O Pd
• Title of publication: Pincer-type di(1,2,4-triazolin-5-ylidene)Pd(ii) complexes and their catalytic activities towards Cu- and amine-free Sonogashira reaction.
• Authors of publication: Huynh, Han Vinh; Lee, Chen-Shiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 6803 - 6809
• a: 23.886 ± 0.003 Å
• b: 9.2712 ± 0.0009 Å
• c: 24.553 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5437.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1229
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No