Information card for entry 4313005

Structure parameters

• Formula: C39 H46 N7 Ta
• Calculated formula: C39 H46 N7 Ta
• SMILES: [Ta]12(n3c(C[N]2(Cc2n1c1c(c2)cccc1)Cc1[nH]c2c(c1)cccc2)cc1ccccc31)(N(C)C)(N(C)C)N(C)C.c1ccccc1
• Title of publication: Tantalum Amido and Imido Complexes Supported byTris[(2-indolyl)methyl]amine, a Tetradentate Trianionic Ligand with Reduced π-Donor Character
• Authors of publication: Joseph M. Tanski; Gerard Parkin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 264 - 266
• a: 8.9822 ± 0.0012 Å
• b: 33.421 ± 0.005 Å
• c: 12.0605 ± 0.0016 Å
• α: 90°
• β: 98.93 ± 0.003°
• γ: 90°
• Cell volume: 3576.6 ± 0.9 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• 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: 0.076
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No