Information card for entry 4330420

Structure parameters

• Common name: tpaMesV(NAr)
• Formula: C49 H52 N5 O V
• Calculated formula: C49 H52 N5 O V
• SMILES: [V]123(n4c(ccc4c4c(cc(cc4C)C)C)C[N]2(Cc2n1c(cc2)c1c(cc(cc1C)C)C)Cc1n3c(c2c(cc(cc2C)C)C)cc1)=Nc1ccc(OC)cc1
• Title of publication: Well-Defined Vanadium Organoazide Complexes and Their Conversion to Terminal Vanadium Imides: Structural Snapshots and Evidence for a Nitrene Capture Mechanism
• Authors of publication: W. Hill Harman; Michael F. Lichterman; Nicholas A. Piro; Christopher J. Chang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10037 - 10042
• a: 17.745 ± 0.0017 Å
• b: 10.807 ± 0.001 Å
• c: 21.763 ± 0.002 Å
• α: 90°
• β: 96.601 ± 0.001°
• γ: 90°
• Cell volume: 4145.8 ± 0.7 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No