Information card for entry 7000020

Structure parameters

• Formula: C16 H25 Cl3 N2 O5 Pd
• Calculated formula: C16 H21 Cl3 N2 O5 Pd
• Title of publication: Kinetico-mechanistic studies of C-H bond activation on new Pd complexes containing N,N'-chelating ligands.
• Authors of publication: Favier, Isabelle; Gomez, Montserrat; Granell, Jaume; Martinez, Manuel; Solans, Xavier; Font-Bardia, Merce
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 123 - 132
• a: 8.062 ± 0.001 Å
• b: 14.197 ± 0.001 Å
• c: 20.239 ± 0.001 Å
• α: 90°
• β: 104.19 ± 0.003°
• γ: 90°
• Cell volume: 2245.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No