Information card for entry 7030968

Structure parameters

• Common name: bmk1026
• Formula: C36 H53 N3 Ta
• Calculated formula: C36 H53 N3 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: 9.1595 ± 0.0003 Å
• b: 11.4603 ± 0.0004 Å
• c: 17.0518 ± 0.0006 Å
• α: 87.553 ± 0.002°
• β: 81.957 ± 0.002°
• γ: 71.414 ± 0.002°
• Cell volume: 1679.89 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No