Information card for entry 4347836

Structure parameters

• Formula: C18 H35 Cl4 N4 Ta
• Calculated formula: C18 H35 Cl4 N4 Ta
• Title of publication: Formation of a Cationic Vinylimido Group upon C-H Activation of Nitriles by Trialkylamines in the Presence of TaCl5.
• Authors of publication: Rahman, Md Mamdudur; Smith, Mark D.; Peryshkov, Dmitry V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 5101 - 5103
• a: 17.6001 ± 0.0006 Å
• b: 17.6001 ± 0.0006 Å
• c: 33.3526 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10331.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No