Information card for entry 4072660

Structure parameters

• Formula: C62 H82 N6 Th
• Calculated formula: C62 H82 N6 Th
• SMILES: C1c2cccc3CN(c4c(cccc4C(C)C)C(C)C)[Th]45([n]23)(N1c1c(cccc1C(C)C)C(C)C)[n]1c(CN5c2c(cccc2C(C)C)C(C)C)cccc1CN4c1c(cccc1C(C)C)C(C)C
• Title of publication: Extremely Stable Thorium(IV) Dialkyl Complexes Supported by Rigid Tridentate 4,5-Bis(anilido)xanthene and 2,6-Bis(anilidomethyl)pyridine Ligands
• Authors of publication: Cruz, Carlos A.; Emslie, David J. H.; Harrington, Laura E.; Britten, James F.; Robertson, Craig M.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 692
• a: 14.901 ± 0.015 Å
• b: 17.895 ± 0.017 Å
• c: 21.354 ± 0.016 Å
• α: 90°
• β: 106.72 ± 0.03°
• γ: 90°
• Cell volume: 5453 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.235
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No