Information card for entry 7010986

Structure parameters

• Formula: C27 H19 F18 N3 O7 Sm
• Calculated formula: C27 H19 F18 N3 O7 Sm
• SMILES: [Sm]1234(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[N]1=C([N](=O)C(C1(C)C)(C)C)c1[n]4cccc1
• Title of publication: Synthesis, spectroscopic and magnetic properties of lanthanide(III) complexes with a chelated imino nitroxide radical
• Authors of publication: Toshiaki Tsukuda; Takayoshi Suzuki; Sumio Kaizaki
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1721 - 1726
• a: 12.258 ± 0.005 Å
• b: 31.56 ± 0.006 Å
• c: 9.619 ± 0.005 Å
• α: 90°
• β: 98.72 ± 0.04°
• γ: 90°
• Cell volume: 3678 ± 3 ų
• Cell temperature: 296.1 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: 0.1085
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No