Information card for entry 7048933

Structure parameters

• Formula: C82 H104 Co2 Li2 N4 O2 S6
• Calculated formula: C82 H104 Co2 Li2 N4 O2 S6
• Title of publication: Redox chemistry of an anionic dithiolene radical.
• Authors of publication: Wang, Yuzhong; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 3543 - 3546
• a: 14.1048 ± 0.0015 Å
• b: 15.2174 ± 0.0016 Å
• c: 19.029 ± 0.0019 Å
• α: 90°
• β: 90.2 ± 0.003°
• γ: 90°
• Cell volume: 4084.3 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 7
• 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: 0.1275
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No