Information card for entry 2011633

Structure parameters

• Formula: C70 H77 Li O4 S9 Ti2
• Calculated formula: C69.96 H76.92 Li O3.99 S9 Ti2
• Title of publication: The titanium‒thiolate complex [Li(C~4~H~8~O)~4~][Ti~2~(SC~6~H~5~)~9~]
• Authors of publication: Puke, Carsten; Schmengler, Kai; Kirschbaum, Kristin; Conrad, Olaf; Giolando, Dean M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: e542 - e542
• a: 19.096 ± 0.003 Å
• b: 19.096 ± 0.003 Å
• c: 19.096 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6963.5 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 198
• Hermann-Mauguin space group symbol: P 21 3
• Hall space group symbol: P 2ac 2ab 3
• Residual factor for all reflections: 0.0699
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes