Information card for entry 7048932

Structure parameters

• Formula: C62 H84 N4 O2 S6
• Calculated formula: C62 H84 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: 9.1839 ± 0.0008 Å
• b: 14.0016 ± 0.0011 Å
• c: 14.42 ± 0.0012 Å
• α: 62.605 ± 0.004°
• β: 72.521 ± 0.004°
• γ: 86.256 ± 0.004°
• Cell volume: 1564.5 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No