Information card for entry 4517305

Structure parameters

• Formula: C70 H63 B F24 N2 Pd
• Calculated formula: C70 H63 B F24 N2 Pd
• Title of publication: Polymerization of 5-Alkylidene-2-norbornenes with Highly Active Pd‒N-Heterocyclic Carbene Complex Catalysts: Catalyst Structure‒Activity Relationships
• Authors of publication: Bermesheva, Evgeniya V.; Wozniak, Alyona I.; Andreyanov, Fedor A.; Karpov, Gleb O.; Nechaev, Mikhail S.; Asachenko, Andrey F.; Topchiy, Maxim A.; Melnikova, Elizaveta K.; Nelyubina, Yulia V.; Gribanov, Pavel S.; Bermeshev, Maxim V.
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 1663 - 1678
• a: 12.7466 ± 0.0011 Å
• b: 13.1407 ± 0.0011 Å
• c: 21.5974 ± 0.0019 Å
• α: 77.667 ± 0.002°
• β: 83.865 ± 0.002°
• γ: 74.979 ± 0.002°
• Cell volume: 3408.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 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: 0.1379
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.2071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No