Information card for entry 7123658

Structure parameters

• Formula: C56 H82 Mg N6 S3
• Calculated formula: C56 H82 Mg N6 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: 15.5287 ± 0.0007 Å
• b: 20.6762 ± 0.001 Å
• c: 18.7622 ± 0.0009 Å
• α: 90°
• β: 93.047 ± 0.002°
• γ: 90°
• Cell volume: 6015.5 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• 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: 0.1244
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No