Information card for entry 7124340

Structure parameters

• Chemical name: Bis[(bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tantalum(III)]-bis(μ-hydrido)-( μ-η4:η4-benzene)
• Formula: C54 H64 B2 N8 Ta2
• Calculated formula: C54 H64 B2 N8 Ta2
• 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: 12.8612 ± 0.0003 Å
• b: 12.8924 ± 0.0003 Å
• c: 16.4689 ± 0.0004 Å
• α: 86.292 ± 0.002°
• β: 83.751 ± 0.002°
• γ: 66.08 ± 0.002°
• Cell volume: 2480.73 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No