Information card for entry 7053505

Structure parameters

• Formula: C47 H63 Cr N6 O
• Calculated formula: C43 H55 Cr N6
• SMILES: [Cr]12([N](c3c(C(C)C)cccc3C(C)C)=C(C)C=C(N1c1c(C(C)C)cccc1C(C)C)C)N(N=NN2c1ccc(C)cc1)c1ccc(C)cc1
• 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: 10.8881 ± 0.0005 Å
• b: 12.8734 ± 0.0005 Å
• c: 16.1682 ± 0.0008 Å
• α: 105.496 ± 0.002°
• β: 90.87 ± 0.002°
• γ: 91.47 ± 0.002°
• Cell volume: 2182.58 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1541
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No