Information card for entry 4305276

Structure parameters

• Formula: C35 H41 F6 N3 P Sm
• Calculated formula: C35 H41 F6 N3 P Sm
• SMILES: [Sm]123456789%10([n]%11ccccc%11c%11[n]1c(ccc%11)c1[n]2cccc1)([c]1([c]%10([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Direct Comparison of the Magnetic and Electronic Properties of Samarocene and Ytterbocene Terpyridine Complexes
• Authors of publication: Jacqueline M. Veauthier; Eric J. Schelter; Christin N. Carlson; Brian L. Scott; Ryan E. Da Re; J. D. Thompson; Jaqueline L. Kiplinger; David E. Morris; Kevin D. John
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5841 - 5849
• a: 11.3542 ± 0.0006 Å
• b: 15.1149 ± 0.0008 Å
• c: 19.0997 ± 0.001 Å
• α: 90°
• β: 95.867 ± 0.001°
• γ: 90°
• Cell volume: 3260.7 ± 0.3 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No