Information card for entry 7014871

Structure parameters

• Formula: C38 H52 N5 O4 S2 Ta
• Calculated formula: C38 H52 N5 O4 S2 Ta
• SMILES: [Ta]1(N(S(=O)(=O)c2c(cc(cc2C)C)C)c2c(c(ccc2)C)c2c(N1S(=O)(=O)c1c(cc(cc1C)C)C)cccc2C)(N(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: 15.181 ± 0.0016 Å
• b: 16.052 ± 0.0018 Å
• c: 17.371 ± 0.002 Å
• α: 90°
• β: 113.325 ± 0.001°
• γ: 90°
• Cell volume: 3887.1 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No