Information card for entry 7125129

Structure parameters

• Formula: C46 H45 B I N P2 Pd
• Calculated formula: C46 H45 B I N 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: 8.8638 ± 0.0012 Å
• b: 22.432 ± 0.003 Å
• c: 19.469 ± 0.003 Å
• α: 90°
• β: 94.012 ± 0.002°
• γ: 90°
• Cell volume: 3861.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No