Information card for entry 4120141

Structure parameters

• Formula: C86 H116 N2 V
• Calculated formula: C86 H116 N2 V
• Title of publication: Linear and Nonlinear Two-Coordinate Vanadium Complexes: Synthesis, Characterization, and Magnetic Properties of V(II) Amides
• Authors of publication: Jessica N. Boynton; Jing-Dong Guo; James C. Fettinger; Christopher E. Melton; Shigeru Nagase; Philip P. Power
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10720 - 10728
• a: 14.5715 ± 0.0007 Å
• b: 31.4168 ± 0.0012 Å
• c: 15.86 ± 0.0006 Å
• α: 90°
• β: 92.892 ± 0.001°
• γ: 90°
• Cell volume: 7251.3 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes