Information card for entry 4131464

Structure parameters

• Formula: C36 H51 I N4 O Pd Yb
• Calculated formula: C36 H51 I N4 O Pd Yb
• SMILES: [Yb]123456789([n]%10[n]1c1c%11[n]([Pd](I)([n]%12c%11c%10ccc%12)(C)(C)C)ccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)([c]1([c]6([c]7([c]9([c]81C)C)C)C)C)[O]=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: 13.4366 ± 0.0004 Å
• b: 17.8758 ± 0.0003 Å
• c: 19.6295 ± 0.0005 Å
• α: 90°
• β: 108.193 ± 0.001°
• γ: 90°
• Cell volume: 4479.12 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No