Information card for entry 7014879

Structure parameters

• Formula: C56 H69 N6 O2 Ta
• Calculated formula: C56 H69 N6 O2 Ta
• SMILES: [Ta]123([N](c4c(c(ccc4)C)c4c(N(C)C)cccc4C)=C(O1)c1c(cc(cc1C)C)C)([N](=C(O2)c1c(cc(cc1C)C)C)c1c(c(ccc1)C)c1c(N(C)C)cccc1C)(N(C)C)N(C3)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: 13.1663 ± 0.0019 Å
• b: 13.4684 ± 0.0019 Å
• c: 32.49 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5761.4 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No