Information card for entry 7029020

Structure parameters

• Formula: C54 H62 Cl2 Li2 O8 P2 S4
• Calculated formula: C54 H62 Cl2 Li2 O8 P2 S4
• SMILES: ClC(=S1(=[O][Li](OS(=[O][Li](O1)([O]1CCCC1)[O]1CCCC1)(=C(Cl)P(=S)(c1ccccc1)c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1)c1ccccc1)P(=S)(c1ccccc1)c1ccccc1
• Title of publication: On the structure and ambiphilicity of a sulfonyl substituted α-chloro lithium base.
• Authors of publication: Becker, Julia; Gessner, Viktoria H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4320 - 4325
• a: 10.75 ± 0.0009 Å
• b: 14.3394 ± 0.0011 Å
• c: 18.465 ± 0.0015 Å
• α: 84.134 ± 0.002°
• β: 75.391 ± 0.002°
• γ: 84.85 ± 0.002°
• Cell volume: 2733.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No