Information card for entry 2226313

Structure parameters

• Chemical name: Bis[1-(3,5-di-<i>tert</i>-butyl-2-hydroxybenzyl)-3-isopropylimidazolium] pentachlorido(tetrahydrofuran)samarate(III)‒teterahydrofuran‒toluene (1/1/1)
• Formula: C57 H90 Cl5 N4 O4 Sm
• Calculated formula: C46 H74 Cl5 N4 O3 Sm
• SMILES: [Sm](Cl)(Cl)(Cl)(Cl)(Cl)[O]1CCCC1.Oc1c(cc(cc1Cn1c[n+](cc1)C(C)C)C(C)(C)C)C(C)(C)C.Oc1c(cc(cc1Cn1c[n+](cc1)C(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Bis[1-(3,5-di-<i>tert</i>-butyl-2-hydroxybenzyl)-3-isopropylimidazolium] pentachlorido(tetrahydrofuran)samarate(III)‒tetrahydrofuran‒toluene (1/1/1)
• Authors of publication: Wang, Zhiguo; Liu, Siman; Bian, Qinquan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m683
• a: 10.2252 ± 0.0011 Å
• b: 17.6968 ± 0.0018 Å
• c: 18.3806 ± 0.0019 Å
• α: 76.954 ± 0.005°
• β: 86.077 ± 0.006°
• γ: 82.789 ± 0.006°
• Cell volume: 3211.8 ± 0.6 ų
• Cell temperature: 192 ± 2 K
• Ambient diffraction temperature: 192 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes