Information card for entry 7700680

Structure parameters

• Formula: C68 H102 B2 F24 O4 P4 Pd2 Ru2
• Calculated formula: C68 H102 B2 F24 O4 P4 Pd2 Ru2
• 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: 14.6724 ± 0.0011 Å
• b: 15.4144 ± 0.0011 Å
• c: 20.2741 ± 0.0015 Å
• α: 99.897 ± 0.001°
• β: 99.733 ± 0.001°
• γ: 99.872 ± 0.001°
• Cell volume: 4356.1 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No