Information card for entry 7053507

Structure parameters

• Formula: C51 H76 N4 O0.5 V
• Calculated formula: C49 H71 N4 V
• SMILES: c1(c(cccc1C(C)C)C(C)C)N1[V]([N](=C(C=C1C)C)c1c(C(C)C)cccc1C(C)C)(=NC12CC3CC(C1)CC(C2)C3)=NC12CC3CC(C1)CC(C3)C2
• Title of publication: Reductive N‒N bond cleavage and coupling of organic azides mediated by chromium(i) and vanadium(i) β-diketiminate
• Authors of publication: Lin, Kuan-Ming; Wang, Po-Yang; Shieh, Yun-Jen; Chen, Hong-Zhang; Kuo, Ting-Shen; Tsai, Yi-Chou
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1737
• a: 19.7038 ± 0.0004 Å
• b: 10.9155 ± 0.0003 Å
• c: 23.6118 ± 0.0006 Å
• α: 90°
• β: 104.198 ± 0.001°
• γ: 90°
• Cell volume: 4923.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1711
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.2565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No