Information card for entry 7125131

Structure parameters

• Formula: C66 H55 B I N O2 P2 Pd
• Calculated formula: C66 H55 B I N O2 P2 Pd
• Title of publication: Isolation and properties of a palladium PBP pincer complex featuring an ambiphilic boryl site.
• Authors of publication: Schuhknecht, Danny; Ritter, Florian; Tauchert, Michael E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 79
• Pages of publication: 11823 - 11826
• a: 15.188 ± 0.003 Å
• b: 20.733 ± 0.004 Å
• c: 18.38 ± 0.004 Å
• α: 90°
• β: 109.077 ± 0.004°
• γ: 90°
• Cell volume: 5469.9 ± 1.9 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No