Information card for entry 7030967

Structure parameters

• Common name: bmkxr14
• Formula: C46 H66 N5 Ta
• Calculated formula: C46 H66 N5 Ta
• Title of publication: Generation of low-valent tantalum species by reversible C-H activation in a cyclometallated tantalum hydride complex.
• Authors of publication: Kriegel, Benjamin M.; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10046 - 10056
• a: 11.413 ± 0.005 Å
• b: 17.448 ± 0.005 Å
• c: 21.602 ± 0.005 Å
• α: 90°
• β: 97.815 ± 0.005°
• γ: 90°
• Cell volume: 4262 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No