Information card for entry 4305275

Structure parameters

• Formula: C35 H41 N3 Sm
• Calculated formula: C35 H41 N3 Sm
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sm]16789%102345([n]2ccccc2c2[n]1c(c1[n]%10cccc1)ccc2)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C)C)C)C
• 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: 14.54 ± 0.003 Å
• b: 14.011 ± 0.003 Å
• c: 14.152 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2883 ± 1.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No