Information card for entry 7005573

Structure parameters

• Formula: C25 H37 Cl2 N5 Pd
• Calculated formula: C25 H37 Cl2 N5 Pd
• Title of publication: Structural variation, dynamics, and catalytic application of palladium(II) complexes of di-N-heterocyclic carbene-amine ligands.
• Authors of publication: Houghton, Jennifer; Dyson, Gavin; Douthwaite, Richard E.; Whitwood, Adrian C.; Kariuki, Benson M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 28
• Pages of publication: 3065 - 3073
• a: 12.959 ± 0.0011 Å
• b: 13.4961 ± 0.0011 Å
• c: 16.319 ± 0.0014 Å
• α: 105.876 ± 0.002°
• β: 102.093 ± 0.002°
• γ: 92.241 ± 0.002°
• Cell volume: 2670.2 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No