Information card for entry 2201853

Structure parameters

• Formula: C50 H61 Cl2 N4 O Sm
• Calculated formula: C50 H61 Cl2 N4 O Sm
• SMILES: [n]1(cn(cc1)C)[Sm]([O]1CCCC1)(Cl)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([n]1cn(cc1)C)Cl.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Dichloro(2,2',4,4',6,6'-hexamethyl-<i>m</i>-terphenyl)bis(<i>N</i>-methylimidazole)(tetrahydrofuran)samarium(III) toluene disolvate
• Authors of publication: Rabe, Gerd W.; Rhatigan, Brian; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: m99 - m101
• a: 21.5031 ± 0.0002 Å
• b: 13.9259 ± 0.0002 Å
• c: 17.6668 ± 0.0002 Å
• α: 90°
• β: 116.536 ± 0.0004°
• γ: 90°
• Cell volume: 4733.01 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes