Information card for entry 4117885

Structure parameters

• Formula: C18 H24 Cl3 N2 O2 Ta
• Calculated formula: C18 H24 Cl3 N2 O2 Ta
• SMILES: [Ta]1(Cl)(Cl)(Cl)([O](C)CC[O]1C)=NN(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Groups 5 and 6 Terminal Hydrazido(2-) Complexes: Nβ Substituent Effects on Ligand-to-Metal Charge-Transfer Energies and Oxidation States
• Authors of publication: Ian A. Tonks; Alec C. Durrell; Harry B. Gray; John E. Bercaw
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 7301 - 7304
• a: 7.3415 ± 0.0004 Å
• b: 9.2663 ± 0.0005 Å
• c: 16.2634 ± 0.0008 Å
• α: 78.39 ± 0.003°
• β: 84.353 ± 0.003°
• γ: 84.864 ± 0.002°
• Cell volume: 1075.72 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No