Information card for entry 4131463

Structure parameters

• Formula: C32 H42 N4 Pd Yb
• Calculated formula: C32 H42 N4 Pd Yb
• SMILES: [Yb]123456789([n]%10[n]1c1c%11[n]([Pd]([n]%12c%11c%10ccc%12)(C)C)ccc1)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C
• Title of publication: Tuning the Stability of Pd(IV) Intermediates Using a Redox Non-innocent Ligand Combined with an Organolanthanide Fragment.
• Authors of publication: Goudy, Violaine; Jaoul, Arnaud; Cordier, Marie; Clavaguéra, Carine; Nocton, Grégory
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 31
• Pages of publication: 10633 - 10636
• a: 10.2105 ± 0.0003 Å
• b: 16.5219 ± 0.0006 Å
• c: 21.1056 ± 0.0005 Å
• α: 90°
• β: 90.146 ± 0.002°
• γ: 90°
• Cell volume: 3560.44 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No