Information card for entry 7710116

Structure parameters

• Formula: C36 H52 P2 Zn
• Calculated formula: C36 H52 P2 Zn
• Title of publication: Facile Synthesis and Utilization of Bis(o-phosphinophenyl)zinc as Isolable PZnP-pincer Ligands Enabled by Boron-Zinc Double Transmetallation
• Authors of publication: Fukuda, Kazuishi; Harada, Takuma; Iwasawa, Nobuharu; Takaya, Jun
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 9.4608 ± 0.0001 Å
• b: 8.8888 ± 0.0001 Å
• c: 19.8948 ± 0.0002 Å
• α: 90°
• β: 103.418 ± 0.0012°
• γ: 90°
• Cell volume: 1627.39 ± 0.03 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No