Information card for entry 4313004

Structure parameters

• Formula: C34 H31 Cl3 N4 O6
• Calculated formula: C33 H30 N4 O6
• SMILES: COC(=O)n1c2ccccc2cc1CN(Cc1cc2c(cccc2)n1C(=O)OC)Cc1cc2c(cccc2)n1C(=O)OC
• 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: 14.978 ± 0.003 Å
• b: 14.978 ± 0.003 Å
• c: 23.939 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4651 ± 1.8 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1755
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No