Information card for entry 7063012

Structure parameters

• Formula: C48 H50 B F4 P2 Rh
• Calculated formula: C48 H50 B F4 P2 Rh
• SMILES: [Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[C]4(=[C]1([C]2(=[C]34CC)CC)CC)CC.[B](F)(F)(F)[F-]
• Title of publication: Catalytic activity of cyclobutadiene rhodium complexes in hydrosilylation and other transformations of alkynes
• Authors of publication: Petrushina, Tatiana N.; Nelyubina, Yulia V.; Perekalin, Dmitry S.; Shvydkiy, Nikita V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 3952 - 3956
• a: 10.7322 ± 0.0002 Å
• b: 26.2556 ± 0.0005 Å
• c: 14.7421 ± 0.0003 Å
• α: 90°
• β: 96.035 ± 0.001°
• γ: 90°
• Cell volume: 4131.01 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0742
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No