Information card for entry 4330422

Structure parameters

• Common name: (tpaMes)V(N3(p-C6H4NMe2))
• Chemical name: (tpaMes)V(N3(p-C6H4NMe2))
• Formula: C50 H55 N6 V
• Calculated formula: C50 H55 N6 V
• SMILES: [V]123(n4c(C[N]1(Cc1n2c(cc1)c1c(cc(C)cc1C)C)Cc1n3c(cc1)c1c(cc(C)cc1C)C)ccc4c1c(cc(C)cc1C)C)=Nc1ccc(cc1)N(C)C
• 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: 18.013 ± 0.004 Å
• b: 10.773 ± 0.003 Å
• c: 22.019 ± 0.005 Å
• α: 90°
• β: 96.264 ± 0.004°
• γ: 90°
• Cell volume: 4247.4 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0598
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No