Information card for entry 4118456

Structure parameters

• Formula: C52 H78 N4 O2 V
• Calculated formula: C52 H78 N4 O2 V
• Title of publication: A Planar Three-Coordinate Vanadium(II) Complex and the Study of Terminal Vanadium Nitrides from N2: A Kinetic or Thermodynamic Impediment to N-N Bond Cleavage?
• Authors of publication: Ba L. Tran; Balazs Pinter; Adam J. Nichols; Felicia T. Konopka; Rick Thompson; Chun-Hsing Chen; J. Krzystek; Andrew Ozarowski; Joshua Telser; Mu-Hyun Baik; Karsten Meyer; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 13035 - 13045
• a: 13.409 ± 0.005 Å
• b: 19.013 ± 0.007 Å
• c: 19.713 ± 0.007 Å
• α: 90°
• β: 96.58 ± 0.007°
• γ: 90°
• Cell volume: 4993 ± 3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1067
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1419
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No