Information card for entry 4075995

Structure parameters

• Formula: C60 H90 I3 Sm3
• Calculated formula: C60 H90 I3 Sm3
• SMILES: [c]12([c]3(C)[Sm]456789%102([c]1(C)[c]7([c]35C)C)([I][Sm]12357%11%12%13([I][Sm]%14%15%16%17%18%19%20%21([I]%10)([c]%10([c]%17([c]%16([c]%15([c]%14%10C)C)C)C)C)[c]%10([c]%21([c]%20([c]%19([c]%18%10C)C)C)C)C)([c]%10([c]3([c]%13([c]2([c]1%10C)C)C)C)C)[c]1([c]%12([c]%11([c]7([c]51C)C)C)C)C)[c]1([c]4([c]6([c]8([c]91C)C)C)C)C)C
• Title of publication: Synthesis and Comparative η1-Alkyl and Sterically Induced Reduction Reactivity of (C5Me5)3Ln Complexes of La, Ce, Pr, Nd, and Sm
• Authors of publication: Evans, William J.; Perotti, Jeremy M.; Kozimor, Stosh A.; Champagne, Timothy M.; Davis, Benjamin L.; Nyce, Gregory W.; Fujimoto, Cy H.; Clark, Robert D.; Johnston, Matthew A.; Ziller, Joseph W.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 3916
• a: 21.9414 ± 0.0013 Å
• b: 14.3377 ± 0.0009 Å
• c: 20.4157 ± 0.0012 Å
• α: 90°
• β: 107.936 ± 0.001°
• γ: 90°
• Cell volume: 6110.4 ± 0.6 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No