Information card for entry 4067522

Structure parameters

• Formula: C32 H52 Cl3 Li N2 O6 Th
• Calculated formula: C32 H52 Cl3 Li N2 O6 Th
• SMILES: [Th]1234567(Cl)(Cl)(Cl)n8cccc8C(C)(C)[c]82[cH]3[c]4([cH]5[cH]6[cH]78)C(C)(C)c2n1ccc2.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: Attempting to Reduce the Irreducible: Preparation of a Rare Paramagnetic Thorium Species
• Authors of publication: Korobkov, Ilia; Vidjayacoumar, Balamurugan; Gorelsky, Serge I.; Billone, Paul; Gambarotta, Sandro
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 692
• a: 20.172 ± 0.003 Å
• b: 8.567 ± 0.0012 Å
• c: 23.886 ± 0.003 Å
• α: 90°
• β: 112.636 ± 0.002°
• γ: 90°
• Cell volume: 3809.9 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No