Information card for entry 4101846

Structure parameters

• Formula: C61 H78 N5 V
• Calculated formula: C61 H78 N5 V
• SMILES: [V]1([N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(N(c1ccc(cc1)C)c1c(cc(cc1C)C)C)#N.N(c1ccc(cc1)C)c1c(cc(cc1C)C)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: 14.2115 ± 0.0015 Å
• b: 20.2651 ± 0.0019 Å
• c: 18.9643 ± 0.0019 Å
• α: 90°
• β: 96.746 ± 0.002°
• γ: 90°
• Cell volume: 5423.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No