Information card for entry 4117889

Structure parameters

• Formula: C16 H20 Cl3 N2 Nb O2
• Calculated formula: C16 H20 Cl3 N2 Nb O2
• SMILES: [Nb]1(Cl)(Cl)(Cl)([O](CC[O]1C)C)=NN(c1ccccc1)c1ccccc1
• 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: 10.9592 ± 0.0004 Å
• b: 14.1496 ± 0.0005 Å
• c: 12.5713 ± 0.0004 Å
• α: 90°
• β: 91.137 ± 0.002°
• γ: 90°
• Cell volume: 1949.03 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.369
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No