Information card for entry 7124335

Structure parameters

• Chemical name: [Bis{bis(3-(2,4,6-trimethylphenyl)-imidazole-2-ylidene)dihydrido)boron-tantalum(III)}-bis(μ-hydrido)]-[([3,5-dimethyl-2-(3-{[3-(2,4,6-trimethylphenyl)imidazol-2-ylidene-1-yl]boranyl}imidazol-2-ylidene-1-yl)phenyl]methyl)-tantalum(III)]-bis(μ-hydrido)-(μ-hydrido)
• Formula: C72 H88 B3 N12 Ta3
• Calculated formula: C72 H88 B3 N12 Ta3
• 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: 20.5383 ± 0.0009 Å
• b: 12.5927 ± 0.0005 Å
• c: 33.4495 ± 0.0014 Å
• α: 90°
• β: 106.533 ± 0.002°
• γ: 90°
• Cell volume: 8293.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No