Information card for entry 4117401

Structure parameters

• Formula: C24 H38 N4 Pd
• Calculated formula: C24 H38 N4 Pd
• SMILES: c12cccc3CN(Cc4cccc(CN(C1)C(C)(C)C)[n]4[Pd](C)(C)[n]23)C(C)(C)C
• Title of publication: The Aerobic Oxidation of a Pd(II) Dimethyl Complex Leads to Selective Ethane Elimination from a Pd(III) Intermediate
• Authors of publication: Julia R. Khusnutdinova; Nigam P. Rath; Liviu M. Mirica
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2414 - 2422
• a: 14.9727 ± 0.0008 Å
• b: 11.6351 ± 0.0007 Å
• c: 14.1303 ± 0.0007 Å
• α: 90°
• β: 111.331 ± 0.002°
• γ: 90°
• Cell volume: 2293 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No