Information card for entry 4315670

Structure parameters

• Formula: C24 H40 Cl N4 Ta
• Calculated formula: C24 H40 Cl N4 Ta
• SMILES: [Ta]1(Cl)(N(c2cccc3cccc(N1C(C)C)c23)C(C)C)(N(CC)CC)N(CC)CC
• Title of publication: Disubstituted 1,8-Diamidonaphthalene Ligands as a Flexible, Responsive, and Reactive Framework for Tantalum Complexes
• Authors of publication: Nathalie Lavoie; Serge I. Gorelsky; Zhixian Liu; Tara J. Burchell; Glenn P. A. Yap; Darrin S. Richeson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5231 - 5240
• a: 14.8426 ± 0.0012 Å
• b: 11.4911 ± 0.0009 Å
• c: 16.5518 ± 0.0013 Å
• α: 90°
• β: 113.945 ± 0.001°
• γ: 90°
• Cell volume: 2580.1 ± 0.4 ų
• Cell temperature: 201 ± 2 K
• Ambient diffraction temperature: 201 ± 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
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No