Information card for entry 4117891

Structure parameters

• Formula: C21.5 H28 Cl3 N2 Nb O4
• Calculated formula: C21.5 H28 Cl3 N2 Nb O4
• 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: 7.4401 ± 0.0003 Å
• b: 10.5793 ± 0.0005 Å
• c: 16.3555 ± 0.0007 Å
• α: 97.765 ± 0.001°
• β: 95.12 ± 0.002°
• γ: 99.874 ± 0.002°
• Cell volume: 1248.3 ± 0.09 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: 0.0401
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 2.445
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No