Information card for entry 7044020

Structure parameters

• Formula: C42 H48 Cl2 N14 Th2
• Calculated formula: C42 H48 Cl2 N14 Th2
• SMILES: [N]123CCN4c5cccc[n]5[Th]56734([Cl][Th]3489%10%11([N](CCN3c3cccc[n]43)(CCN8c3cccc[n]93)CCN%10c3cccc[n]%113)[Cl]7)(N(CC1)c1cccc[n]51)N(CC2)c1cccc[n]61
• Title of publication: Benzoquinonoid-bridged dinuclear actinide complexes
• Authors of publication: Hohloch, Stephan; Pankhurst, James R.; Jaekel, Esther E.; Parker, Bernard F.; Lussier, Daniel J.; Garner, Mary E.; Booth, Corwin H.; Love, Jason B.; Arnold, John
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 13.3667 ± 0.0004 Å
• b: 9.8584 ± 0.0003 Å
• c: 16.0849 ± 0.0005 Å
• α: 90°
• β: 95.518 ± 0.001°
• γ: 90°
• Cell volume: 2109.75 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No