Information card for entry 7124337

Structure parameters

• Chemical name: Bis[(bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-chlorido-tantalum(IV)]-tetrakis(μ-hydrido)
• Formula: C55 H68 B2 Cl2 N8 Ta2
• Calculated formula: C55 H68 B2 Cl2 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: 16.6448 ± 0.0003 Å
• b: 17.7225 ± 0.0004 Å
• c: 18.6699 ± 0.0004 Å
• α: 90°
• β: 96.747 ± 0.002°
• γ: 90°
• Cell volume: 5469.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No