Information card for entry 7042383

Structure parameters

• Formula: C25 H38 F3 N4 Ta
• Calculated formula: C25 H38 F3 N4 Ta
• SMILES: [Ta](F)(F)(F)(N(C)C)(N(C)C)=C1N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: NHC adducts of tantalum amidohalides: the first example of NHC abnormally coordinated to an early transition metal.
• Authors of publication: Petrov, Pavel A.; Sukhikh, Taisiya S.; Sokolov, Maxim N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 4902 - 4906
• a: 8.8138 ± 0.0006 Å
• b: 9.5873 ± 0.0007 Å
• c: 16.5828 ± 0.0011 Å
• α: 81.404 ± 0.002°
• β: 84.287 ± 0.002°
• γ: 71.383 ± 0.002°
• Cell volume: 1311.01 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0149
• Residual factor for significantly intense reflections: 0.0144
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No