Information card for entry 4122056

Structure parameters

• Formula: C38 H46 Cl Co N2 O1.5 Pd
• Calculated formula: C38 H46 Cl Co N2 O1.5 Pd
• Title of publication: Intramolecular Redox-Active Ligand-to-Substrate Single-Electron Transfer: Radical Reactivity with a Palladium(II) Complex.
• Authors of publication: Broere, Daniël L J; de Bruin, Bas; Reek, Joost N. H.; Lutz, Martin; Dechert, Sebastian; van der Vlugt, Jarl Ivar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 33
• Pages of publication: 11574 - 11577
• a: 9.0399 ± 0.0005 Å
• b: 9.7093 ± 0.0005 Å
• c: 23.0313 ± 0.0013 Å
• α: 98.706 ± 0.005°
• β: 90.011 ± 0.005°
• γ: 117.738 ± 0.004°
• Cell volume: 1762.79 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No