Information card for entry 7124338

Structure parameters

• Chemical name: Bis[(bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tantalum(III)]-bis(μ-hydrido)-( μ-η4:η4-toluene)
• Formula: C183 H240 B6 N24 Ta6
• Calculated formula: C183 H240 B6 N24 Ta6
• Title of publication: Structural diversity in multinuclear tantalum polyhydrides formed via reductive hydrogenolysis of metal‒carbon bonds
• Authors of publication: Fostvedt, Jade I.; Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.8721 ± 0.0004 Å
• b: 28.0792 ± 0.0008 Å
• c: 44.8293 ± 0.0012 Å
• α: 90°
• β: 90.941 ± 0.002°
• γ: 90°
• Cell volume: 17459.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No