Information card for entry 7700678

Structure parameters

• Formula: C41 H60 O3 P2 Pd Ru
• Calculated formula: C41 H60 O3 P2 Pd Ru
• Title of publication: Synthesis, structural properties and reactivity of ruthenocene-based pincer Pd(ii) tetrahydroborate.
• Authors of publication: Safronov, Sergey V.; Gutsul, Evgenii I.; Golub, Igor E.; Dolgushin, Fedor M.; Nelubina, Yulia V.; Filippov, Oleg A.; Epstein, Lina M.; Peregudov, Alexander S.; Belkova, Natalia V.; Shubina, Elena S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 33
• Pages of publication: 12720 - 12729
• a: 14.0995 ± 0.0009 Å
• b: 19.716 ± 0.0013 Å
• c: 15.7422 ± 0.001 Å
• α: 90°
• β: 110.487 ± 0.0012°
• γ: 90°
• Cell volume: 4099.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No