Information card for entry 4079445

Structure parameters

• Formula: C18 H26 N4 Pd
• Calculated formula: C18 H26 N4 Pd
• SMILES: [Pd]1([n]2c3cccc2CN(Cc2[n]1c(ccc2)CN(C3)C)C)(C)C
• Title of publication: Detection of Pd(III) and Pd(IV) Intermediates during the Aerobic Oxidative C‒C Bond Formation from a Pd(II) Dimethyl Complex
• Authors of publication: Tang, Fengzhi; Zhang, Ying; Rath, Nigam P.; Mirica, Liviu M.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6690
• a: 11.5829 ± 0.0005 Å
• b: 15.5446 ± 0.0007 Å
• c: 17.2558 ± 0.0008 Å
• α: 63.609 ± 0.002°
• β: 81.434 ± 0.003°
• γ: 71.135 ± 0.002°
• Cell volume: 2633.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No