Information card for entry 7020321

Structure parameters

• Formula: C82 H120 Cl5 Li N4 O6 Th2
• Calculated formula: C82 H120 Cl5 Li N4 O6 Th2
• SMILES: [Th]1234([Cl][Th]56([Cl]1)([Cl]2)(Cl)Oc1c([N]5=C(C=C(N6c2c(cccc2C(C)C)C(C)C)C)C)cc(cc1C(C)(C)C)C(C)(C)C)(Cl)Oc1c([N]3=C(C=C(N4c2c(cccc2C(C)C)C(C)C)C)C)cc(cc1C(C)(C)C)C(C)(C)C.[Li]12([O](C)CC[O]1C)[O](C)CC[O]2C.c1ccccc1.c1ccccc1
• Title of publication: A N-aryloxy-β-diketiminate ligand in 4d, 4f and 5f-metals complexes.
• Authors of publication: Dulong, Florian; Bathily, Oumou; Thuéry, Pierre; Ephritikhine, Michel; Cantat, Thibault
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 11980 - 11983
• a: 13.0701 ± 0.0003 Å
• b: 17.5574 ± 0.0006 Å
• c: 20.6952 ± 0.0008 Å
• α: 107.545 ± 0.002°
• β: 100.357 ± 0.002°
• γ: 97.811 ± 0.003°
• Cell volume: 4361.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No