Information card for entry 4079053

Structure parameters

• Formula: C32 H52 Cl2 N2 O3 Th
• Calculated formula: C32 H52 Cl2 N2 O3 Th
• SMILES: [Th]123(Cl)(Cl)([O](C)CC[O]1C)[O](CCN2c1c(cccc1C(C)C)C(C)C)CCN3c1c(cccc1C(C)C)C(C)C
• Title of publication: Diamido-Ether Actinide Complexes as Catalysts for the Intramolecular Hydroamination of Aminoalkenes
• Authors of publication: Hayes, Cassandra E.; Platel, Rachel H.; Schafer, Laurel L.; Leznoff, Daniel B.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6732
• a: 8.0499 ± 0.001 Å
• b: 16.871 ± 0.002 Å
• c: 26.702 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3626.4 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for all reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0235
• Weighted residual factors for all reflections included in the refinement: 0.0233
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No