Information card for entry 7014873

Structure parameters

• Formula: C40 H50 N4 O2 V
• Calculated formula: C40 H50 N4 O2 V
• SMILES: [V]123([N](c4c(c(ccc4)C)c4c([N]1=Cc1c(O3)c(ccc1)C(C)(C)C)cccc4C)=Cc1c(O2)c(ccc1)C(C)(C)C)(N(C)C)N(C)C
• Title of publication: Synthesis and catalytic activity of group 5 metal amides with chiral biaryldiamine-based ligands.
• Authors of publication: Zhang, Furen; Song, Haibin; Zi, Guofu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 1547 - 1566
• a: 11.0271 ± 0.0011 Å
• b: 11.4224 ± 0.0012 Å
• c: 14.9238 ± 0.0016 Å
• α: 85.963 ± 0.009°
• β: 85.289 ± 0.011°
• γ: 83.182 ± 0.009°
• Cell volume: 1856.6 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No