Information card for entry 7710113

Structure parameters

• Formula: C39 H52 O3 P2 Ru Zn
• Calculated formula: C39 H52 O3 P2 Ru Zn
• SMILES: [Ru]12([Zn](c3c([P]1(C1CCCCC1)C1CCCCC1)cccc3)c1c([P]2(C2CCCCC2)C2CCCCC2)cccc1)(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: 17.5815 ± 0.0002 Å
• b: 11.4543 ± 0.0001 Å
• c: 18.0955 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3644.14 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No