Information card for entry 7710115

Structure parameters

• Formula: C43 H38 O4 P2 Ru Zn
• Calculated formula: C43 H38 O4 P2 Ru Zn
• SMILES: [Ru]12([Zn](c3c([P]1(c1ccccc1)c1ccccc1)cccc3)(c1c([P]2(c2ccccc2)c2ccccc2)cccc1)[O](CC)CC)(C#[O])(C#[O])C#[O]
• 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: 9.8387 ± 0.0002 Å
• b: 13.5839 ± 0.0004 Å
• c: 15.1541 ± 0.0006 Å
• α: 100.156 ± 0.003°
• β: 91.955 ± 0.003°
• γ: 108.525 ± 0.002°
• Cell volume: 1881.45 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No