Information card for entry 7035480

Structure parameters

• Formula: C36 H28 N O2 P Pd
• Calculated formula: C36 H28 N O2 P Pd
• SMILES: [Pd]12(c3c4c([N]2=Cc2cc(OC)ccc2O1)cccc4ccc3)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.6731 ± 0.0006 Å
• b: 11.7347 ± 0.0004 Å
• c: 17.4108 ± 0.0006 Å
• α: 90°
• β: 116.042 ± 0.002°
• γ: 90°
• Cell volume: 2877.07 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No