Information card for entry 4314928

Structure parameters

• Formula: C112 H144 La2 N8 O2 Si2 U
• Calculated formula: C112 H144 La2 N8 O2 Si2 U
• SMILES: [U]12345678(N=C(Cc9ccccc9)c9cc%10[n]%11[La]%12%13%14%15%16%17%18%19([n]%20ccccc%10%20)([n]%10c(c%11c9)cccc%10)([cH]9[c]%12([c]%13([c]%14([c]%159C)C)C)C)[cH]9[c]%16([c]%17([c]%19([c]%189C)C)C)C)(N=C(Cc9ccccc9)c9cc%10[n]%11[La]%12%13%14%15%16%17%18%19([n]%20ccccc%10%20)([n]%10c(c%11c9)cccc%10)([cH]9[c]%12([c]%19([c]%13([c]%149C)C)C)C)[cH]9[c]%15([c]%16([c]%17([c]%189C)C)C)C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C.[Si](O[Si](C)(C)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: 13.4288 ± 0.0014 Å
• b: 18.774 ± 0.002 Å
• c: 21.335 ± 0.002 Å
• α: 79.831 ± 0.001°
• β: 87.5 ± 0.002°
• γ: 75.225 ± 0.002°
• Cell volume: 5119.3 ± 0.9 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1517
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No