Information card for entry 4061074

Structure parameters

• Formula: C58 H80 K2 N4 O9 Th
• Calculated formula: C58 H80 K2 N4 O9 Th
• SMILES: [Th]OC(=O)[C@@H]1c2ccccc2[C@@H](C=C1)C(=O)O[Th]123456789%10%11(n%12c%13C([C]%149=[CH]8[CH]%11=[C]7(N3%14)C(c3n2c(C([C]26N1[C]4(C(c%12cc%13)(CC)CC)=[CH]%10[CH]5=2)(CC)CC)cc3)(CC)CC)(CC)CC)OC(=O)[C@@H]1c2ccccc2[C@@H](C=C1)C(=O)O[Th].[K+].[K+].COCCOC.COCCOC.COCCOC
• Title of publication: Cis Double Addition of CO2 to a Coordinated Arene of a Thorium Complex
• Authors of publication: Korobkov, Ilia; Gambarotta, Sandro
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 23
• Pages of publication: 5379 - 5381
• a: 17.034 ± 0.005 Å
• b: 16.684 ± 0.005 Å
• c: 20.545 ± 0.006 Å
• α: 90°
• β: 94.161 ± 0.005°
• γ: 90°
• Cell volume: 5823 ± 3 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No