Information card for entry 7010499

Structure parameters

• Formula: C26 H39 Cl3 N5 Ta
• Calculated formula: C26 H39 Cl3 N5 Ta
• SMILES: [Ta]1(Cl)(Cl)(Cl)(N(CC)CC)[N](=C(N1c1ccccc1)/C(=N\c1ccccc1)NC(C)(C)C)C(C)(C)C
• Title of publication: Synthesis and catalytic properties of oxalic amidinato complexes
• Authors of publication: Chen, Chi-Tien; Rees, Leigh H.; Cowley, Andrew R.; Green, Malcolm L. H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1761
• a: 11.287 ± 0.0007 Å
• b: 10.705 ± 0.001 Å
• c: 12.556 ± 0.0011 Å
• α: 90°
• β: 96.282 ± 0.006°
• γ: 90°
• Cell volume: 1508 ± 0.2 ų
• Cell temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0382
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8379
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No