Information card for entry 4101847

Structure parameters

• Formula: C44 H55 N4 O V
• Calculated formula: C44 H55 N4 O V
• SMILES: [V]1(N=C=O)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Low-Coordinate and Neutral Nitrido Complexes of Vanadium
• Authors of publication: Ba L. Tran; Maren Pink; Xinfeng Gao; Hyunsoo Park; Daniel J. Mindiola
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 1458 - 1459
• a: 10.48 ± 0.002 Å
• b: 18.768 ± 0.004 Å
• c: 20.844 ± 0.004 Å
• α: 90°
• β: 103.704 ± 0.005°
• γ: 90°
• Cell volume: 3983.1 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No