Information card for entry 4079446

Structure parameters

• Formula: C19 H29 I N4 Pd
• Calculated formula: C19 H29 I N4 Pd
• SMILES: C[Pd]12(C)(C)[n]3c4CN(Cc5cccc(C[N]2(Cc3ccc4)C)[n]15)C.[I-]
• 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: 14.2427 ± 0.0015 Å
• b: 12.4519 ± 0.0013 Å
• c: 11.2446 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1994.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 46
• Hermann-Mauguin space group symbol: I m a 2
• Hall space group symbol: I 2 -2a
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No