Information card for entry 4063187

Structure parameters

• Formula: C47 H67 N2 O2 Ta
• Calculated formula: C47 H67 N2 O2 Ta
• SMILES: [Ta]1234(Oc5c(cc(cc5C4[N]2(Cc2cc(cc(c2O1)C)C)CC[N]3(C)C)C(C)(C)C)C(C)(C)C)(Cc1ccccc1)Cc1ccccc1.CCCCC
• Title of publication: Tribenzyl Tantalum(V) Complexes of Amine Bis(phenolate) Ligands: Investigation of α-Abstraction vs Ligand Backbone β-Abstraction Paths
• Authors of publication: Groysman, Stanislav; Goldberg, Israel; Kol, Moshe; Genizi, Elisheva; Goldschmidt, Zeev
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 8
• Pages of publication: 1880 - 1890
• a: 14.019 ± 0.0002 Å
• b: 17.116 ± 0.0003 Å
• c: 17.743 ± 0.0003 Å
• α: 90°
• β: 94.011 ± 0.0008°
• γ: 90°
• Cell volume: 4246.99 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No