Information card for entry 4077397

Structure parameters

• Formula: C26 H34 Cl N2 Ta
• Calculated formula: C26 H34 Cl N2 Ta
• SMILES: [Ta]123456(N(c7c8c(N1C(C)C)cccc8ccc7)C2(C)C)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C
• Title of publication: Metallaaziridine Complexes of Tantalum Derived from 1,8-Bis(isopropylamino)naphthalene via β-H Activation
• Authors of publication: Bazinet, Patrick; Yap, Glenn P. A.; Richeson, Darrin S.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 20
• Pages of publication: 4129
• a: 23.328 ± 0.002 Å
• b: 10.1925 ± 0.0009 Å
• c: 19.3464 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4600 ± 0.7 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No