Information card for entry 4117887

Structure parameters

• Formula: C16 H18 Cl5 N2 Nb O2
• Calculated formula: C16 H18 Cl5 N2 Nb O2
• SMILES: [Nb]1(Cl)(Cl)(Cl)([O](C)CC[O]1C)=NN(c1ccc(Cl)cc1)c1ccc(Cl)cc1
• 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: 7.3791 ± 0.0004 Å
• b: 8.925 ± 0.0004 Å
• c: 16.3801 ± 0.0008 Å
• α: 80.331 ± 0.002°
• β: 84.651 ± 0.002°
• γ: 85.152 ± 0.002°
• Cell volume: 1056.2 ± 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: 0.0242
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 2.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No