Information card for entry 7030969

Structure parameters

• Common name: bmkxr11
• Formula: C37 H55 N3 Ta
• Calculated formula: C37 H55 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: 9.0824 ± 0.0005 Å
• b: 11.2781 ± 0.0006 Å
• c: 18.1047 ± 0.0009 Å
• α: 74.765 ± 0.002°
• β: 84.576 ± 0.002°
• γ: 73.29 ± 0.002°
• Cell volume: 1713.41 ± 0.16 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: 0.0208
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No