Information card for entry 4126036

Structure parameters

• Formula: C76 H112 Cl Ge Li N4 O6 S6
• Calculated formula: C76 H112 Cl Ge Li N4 O6 S6
• Title of publication: A Stable Anionic Dithiolene Radical.
• Authors of publication: Wang, Yuzhong; Hickox, Hunter P.; Xie, Yaoming; Wei, Pingrong; Blair, Soshawn A.; Johnson, Michael K.; Schaefer, 3rd, Henry F; Robinson, Gregory H.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 20
• Pages of publication: 6859 - 6862
• a: 14.9377 ± 0.0006 Å
• b: 14.9604 ± 0.0006 Å
• c: 37.2578 ± 0.0015 Å
• α: 90°
• β: 92.366 ± 0.001°
• γ: 90°
• Cell volume: 8319.1 ± 0.6 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 8
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No