Information card for entry 4067526

Structure parameters

• Formula: C48 H65 K N4 O4 Th
• Calculated formula: C48 H65 K N4 O4 Th
• SMILES: [Th]1234567(n8cccc8C(C)(C)[C]83=[CH]4[CH]5=[CH]6C7(C8)C(C)(C)c3cccn13)n1cccc1C(C)(C)c1cccc(c1)C(C)(C)c1n2ccc1.[K]12([O](C)CC[O]1C)[O](C)CC[O]2C
• 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: 11.2955 ± 0.001 Å
• b: 12.984 ± 0.0011 Å
• c: 18.0443 ± 0.0015 Å
• α: 79.852 ± 0.001°
• β: 84.596 ± 0.001°
• γ: 65.373 ± 0.001°
• Cell volume: 2367.4 ± 0.4 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No