Information card for entry 4314927

Structure parameters

• Formula: C114 H142 N8 O Sm2 Th
• Calculated formula: C114 H142 N8 O Sm2 Th
• SMILES: [Th]12345678(N=C(Cc9ccccc9)c9cc%10[n]%11[Sm]%12%13%14%15%16%17%18%19([n]%20ccccc%10%20)([n]%10c(c%11c9)cccc%10)([c]9([c]%14([c]%13([c]%12([c]9%19C)C)C)CC)C)[c]9([c]%18([c]%17([c]%16([c]%159C)CC)C)C)C)(N=C(Cc9ccccc9)c9cc%10[n]%11[Sm]%12%13%14%15%16%17%18%19([n]%20ccccc%10%20)([n]%10c(c%11c9)cccc%10)([c]9([c]%15([c]%14([c]%13([c]%129CC)C)C)C)C)[c]9([c]%18([c]%17([c]%19([c]%169CC)C)C)C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C.O(CC)CC
• Title of publication: Comparative Study of f-Element Electronic Structure across a Series of Multimetallic Actinide and Lanthanoid-Actinide Complexes Possessing Redox-Active Bridging Ligands
• Authors of publication: Eric J. Schelter; Ruilian Wu; Jacqueline M. Veauthier; Eric D. Bauer; Corwin H. Booth; Robert K. Thomson; Christopher R. Graves; Kevin D. John; Brian L. Scott; Joe D. Thompson; David E. Morris; Jaqueline L. Kiplinger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1995 - 2007
• a: 16.8994 ± 0.0017 Å
• b: 18.7407 ± 0.0019 Å
• c: 33.271 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10537.1 ± 1.8 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 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: 0.1247
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No