Information card for entry 7035484

Structure parameters

• Formula: C62 H50 N2 O4 P2 Pd2
• Calculated formula: C62 H50 N2 O4 P2 Pd2
• SMILES: c12ccc(cc1C=[N]1[Pd](c3cccc4cccc1c34)(O2)[P](c1ccccc1)(CC[P]([Pd]12c3cccc4cccc([N]1=Cc1c(ccc(c1)OC)O2)c34)(c1ccccc1)c1ccccc1)c1ccccc1)OC
• Title of publication: Palladium(0)-mediated C-H bond activation of N-(naphthyl)salicylaldimine and related ligands: utilization of the resulting organopalladium complexes in catalytic C-C and C-N coupling reactions.
• Authors of publication: Dutta, Jayita; Richmond, Michael G.; Bhattacharya, Samaresh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 30
• Pages of publication: 13615 - 13632
• a: 8.6555 ± 0.0002 Å
• b: 12.6136 ± 0.0003 Å
• c: 13.6905 ± 0.0003 Å
• α: 104.844 ± 0.001°
• β: 107.335 ± 0.001°
• γ: 105.75 ± 0.001°
• Cell volume: 1277.47 ± 0.05 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No