Information card for entry 7036933

Structure parameters

• Formula: C39 H46 Cl4 N6 O2 Pd2
• Calculated formula: C39 H46 Cl4 N6 O2 Pd2
• Title of publication: Effect of chalcogens on CO insertion into the palladium-methyl bond of [(N^N^X)Pd(CH3)](+) (X = O, S, Se) and on CO/ethylene copolymerisation.
• Authors of publication: Kumar, Kamlesh; Darkwa, James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20714 - 20727
• a: 8.9985 ± 0.0007 Å
• b: 9.7348 ± 0.0008 Å
• c: 12.7904 ± 0.001 Å
• α: 94.752 ± 0.002°
• β: 97.174 ± 0.002°
• γ: 111.388 ± 0.002°
• Cell volume: 1025.05 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0283
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No