Information card for entry 7703560

Structure parameters

• Formula: C26 H41 N2 O Ta
• Calculated formula: C26 H41 N2 O Ta
• SMILES: [Ta]12(OC(C)(CN3C=1N(c1c(C2)cc(C)cc1C)C=C3)C)(=CC(C)(C)C)CC(C)(C)C
• Title of publication: Lability of Ta-NHC adducts as a synthetic route towards heterobimetallic Ta/Rh complexes.
• Authors of publication: Srivastava, Ravi; Quadrelli, Elsje Alessandra; Camp, Clément
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3120 - 3128
• a: 8.6557 ± 0.0007 Å
• b: 10.8781 ± 0.0007 Å
• c: 15.8244 ± 0.0011 Å
• α: 71.346 ± 0.006°
• β: 75.611 ± 0.007°
• γ: 68.301 ± 0.007°
• Cell volume: 1297.24 ± 0.18 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No