Information card for entry 4131460

Structure parameters

• Formula: C10 H12 N4 Pd
• Calculated formula: C10 H12 N4 Pd
• SMILES: [Pd]1([n]2c(c3[n]1cccn3)nccc2)(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: 9.9648 ± 0.0002 Å
• b: 34.1529 ± 0.0006 Å
• c: 13.0537 ± 0.0002 Å
• α: 90°
• β: 106.465 ± 0.001°
• γ: 90°
• Cell volume: 4260.35 ± 0.13 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No