Information card for entry 7124341

Structure parameters

• Chemical name: (Bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-chloridio-trimethyl-tantalum(V)
• Formula: C27 H37 B Cl N4 Ta
• Calculated formula: C27 H37 B Cl N4 Ta
• 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: 10.4157 ± 0.0003 Å
• b: 11.4099 ± 0.0003 Å
• c: 12.0668 ± 0.0002 Å
• α: 93.644 ± 0.002°
• β: 98.974 ± 0.002°
• γ: 94.335 ± 0.002°
• Cell volume: 1408.3 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0209
• Residual factor for significantly intense reflections: 0.0191
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No