Information card for entry 4067524

Structure parameters

• Formula: C28 H42 Cl3 Li2 N2 O4 Th
• Calculated formula: C28 H42 Cl3 Li2 N2 O4 Th
• SMILES: [cH]12[cH]3[cH]4[c]56C(C)(C)c7[c]89[H][Th]%10%11%12%13%14%1523468([n]15[Li]1([Cl]%12)[O](C)CC[O]1C)([cH]1[cH]%13[cH]%14[c]%10(C(C)(C)c9ccc7)[n]1%11[Li]1([Cl]%15)[O](C)CC[O]1C)Cl
• 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: 17.3301 ± 0.0015 Å
• b: 15.0454 ± 0.0013 Å
• c: 12.5834 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3281 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No