Information card for entry 7112074

Structure parameters

• Formula: C19 H33 Cl2 N3 O4 Pd
• Calculated formula: C19 H33 Cl2 N3 O4 Pd
• Title of publication: Dioxygen activation by an organometallic Pd(II) precursor: formation of a Pd(IV)-OH complex and its C-O bond formation reactivity
• Authors of publication: Fengrui Qu; Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 3036
• a: 16.5967 ± 0.0007 Å
• b: 8.378 ± 0.0004 Å
• c: 15.033 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2090.3 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No