Information card for entry 2012169

Structure parameters

• Chemical name: Di-μ-phenylthiobis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran) lanthanum(III)] bis(tetrahydrofuran) solvate
• Formula: C52 H70 La2 O4 S2
• Calculated formula: C52 H70 La2 O4 S2
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]1(C)[La]167892345([cH]2[c]9([cH]8[cH]6[cH]12)C)([O]1CCCC1)[S](c1ccccc1)[La]12345689([cH]%10[cH]1[cH]2[cH]3[c]4%10C)([cH]1[c]9([cH]8[cH]6[cH]51)C)([O]1CCCC1)[S]7c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Di-μ-phenylthio-bis[bis(η^5^-methylcyclopentadienyl)(tetrahydrofuran)lanthanum(III)] bis(tetrahydrofuran) solvate
• Authors of publication: Li, Huanrong; Yao, Yingming; Shen, Qi; Weng, Linhong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: 887 - 888
• a: 9.1535 ± 0.0011 Å
• b: 17.337 ± 0.002 Å
• c: 16.637 ± 0.002 Å
• α: 90°
• β: 100.031 ± 0.002°
• γ: 90°
• Cell volume: 2599.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes