Information card for entry 4120013

Structure parameters

• Common name: Ta-complex
• Chemical name: Ta-complex AK-505
• Formula: C32 H53 Cl F3 N5 O3 S Ta
• Calculated formula: C32 H53 Cl F3 N5 O3 S Ta
• Title of publication: N-N Bond Cleavage of Mid-Valent Ta(IV) Hydrazido and Hydrazidium Complexes Relevant to the Schrock Cycle for Dinitrogen Fixation
• Authors of publication: Andrew J. Keane; Peter Y. Zavalij; Lawrence R. Sita
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9580 - 9583
• a: 8.9354 ± 0.0009 Å
• b: 13.3297 ± 0.0013 Å
• c: 17.8137 ± 0.0017 Å
• α: 110.212 ± 0.0013°
• β: 92.9333 ± 0.0014°
• γ: 107.098 ± 0.0014°
• Cell volume: 1875.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0183
• Residual factor for significantly intense reflections: 0.0171
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No