Information card for entry 7114089

Structure parameters

• Formula: C18 H37 Cl2 Li N4 O8 S2
• Calculated formula: C18 H37 Cl2 Li N4 O8 S2
• Title of publication: Synthesis and structure of a new macrotricyclic ligand that encapsulates lithium and transition metal ions
• Authors of publication: Barclay, Tosha M.; McAuley, Alex; Subramanian, S.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 2
• Pages of publication: 170
• a: 7.3867 ± 0.0016 Å
• b: 9.057 ± 0.002 Å
• c: 10.269 ± 0.002 Å
• α: 72.895 ± 0.004°
• β: 80.625 ± 0.004°
• γ: 85.607 ± 0.004°
• Cell volume: 647.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No