Information card for entry 7021188

Structure parameters

• Formula: C29.5 H31 Cl N4 O3 Pd
• Calculated formula: C29.5 H31 Cl N4 O3 Pd
• Title of publication: Synthesis of palladium(0) and -(ii) complexes with chelating bis(N-heterocyclic carbene) ligands and their application in semihydrogenation.
• Authors of publication: Sluijter, Soraya N.; Warsink, Stefan; Lutz, Martin; Elsevier, Cornelis J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 20
• Pages of publication: 7365 - 7372
• a: 11.0535 ± 0.0006 Å
• b: 11.5821 ± 0.0007 Å
• c: 11.9965 ± 0.0006 Å
• α: 101.217 ± 0.0017°
• β: 99.4456 ± 0.0017°
• γ: 106.802 ± 0.0017°
• Cell volume: 1401.91 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No