Information card for entry 7123657

Structure parameters

• Formula: C43 H66 Mg N2 O4 S3
• Calculated formula: C43 H66 Mg N2 O4 S3
• Title of publication: Lewis base-complexed magnesium dithiolenes
• Authors of publication: Wang, Yuzhong; Maxi, Nirva A.; Xie, Yaoming; Wei, Pingrong; Schaefer, Henry F.; Robinson, Gregory
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 13.3056 ± 0.0006 Å
• b: 13.807 ± 0.0007 Å
• c: 12.8135 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2353.97 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No