Information card for entry 7114708

Structure parameters

• Formula: C38 H66 Cl2 N2 O2 Sm2
• Calculated formula: C38 H66 Cl2 N2 O2 Sm2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Sm]162345([N]2(O1)C(CCCC2(C)C)(C)C)[Cl][Sm]12345([c]7([c]4([c]3([c]2([c]17C)C)C)C)C)([N]1(O5)C(CCCC1(C)C)(C)C)[Cl]6)C)C)C)C
• Title of publication: The tetramethylpiperidinyl-1-oxide anion (TMPO‒) as a ligand in lanthanide chemistry: synthesis of the per(TMPO‒) complex [(ONC5H6Me4)2Sm( µ-ONC5H6Me4)]2
• Authors of publication: Evans, William J.; Perotti, Jeremy M.; Doedens, Robert J.; Ziller, Joseph W.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 22
• Pages of publication: 2326
• a: 14.595 ± 0.0019 Å
• b: 8.3464 ± 0.0011 Å
• c: 17.584 ± 0.002 Å
• α: 90°
• β: 106.306 ± 0.002°
• γ: 90°
• Cell volume: 2055.8 ± 0.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No