Information card for entry 2200579

Structure parameters

• Chemical name: trans-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-S)- tetrakis(tetrahydrofuran-O)ytterbium(II)
• Formula: C88 H130 O4 S2 Yb
• Calculated formula: C88 H130 O4 S2 Yb
• SMILES: c1c(C(C)C)cc(c(c2c(S[Yb]([O]3CCCC3)([O]3CCCC3)(Sc3c(cccc3c3c(cc(cc3C(C)C)C(C)C)C(C)C)c3c(cc(cc3C(C)C)C(C)C)C(C)C)([O]3CCCC3)[O]3CCCC3)c(ccc2)c2c(cc(cc2C(C)C)C(C)C)C(C)C)c1C(C)C)C(C)C
• Title of publication: A sterically crowded ytterbium(II) thiolate: <i>trans</i>-bis(2,4,6,2'',4'',6''-hexaisopropyl-1,1':3',1''-terphenyl-2'-thiolato-<i>S</i>)tetrakis(tetrahydrofuran-<i>O</i>)ytterbium(II)
• Authors of publication: Niemeyer, Mark
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: m396 - m398
• a: 13.666 ± 0.003 Å
• b: 16.277 ± 0.003 Å
• c: 18.575 ± 0.004 Å
• α: 90°
• β: 98.99 ± 0.03°
• γ: 90°
• Cell volume: 4081.1 ± 1.5 ų
• Cell temperature: 188 ± 2 K
• Ambient diffraction temperature: 188 ± 2 K
• Number of distinct elements: 5
• 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: 0.094
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes