Information card for entry 4067525

Structure parameters

• Formula: C32 H52 Cl3 K Li N2 O6 Th
• Calculated formula: C32 H53 Cl3 K Li N2 O6 Th
• 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: 16.2998 ± 0.0008 Å
• b: 14.5464 ± 0.0008 Å
• c: 16.3612 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3879.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No