Information card for entry 7038031

Structure parameters

• Formula: C16 H18 F12 Mg N8 O8 S4
• Calculated formula: C16 H18 F12 Mg N8 O8 S4
• SMILES: C(F)(S(=O)(=O)N=S([O-])(=O)C(F)(F)F)(F)F.[Mg]([N]#CC)([N]#CC)([N]#CC)([N]#CC)([N]#CC)[N]#CC.C(F)(F)(F)S(=O)(=O)N=S([O-])(=O)C(F)(F)F
• Title of publication: Homoleptic octahedral coordination of CH3CN to Mg(2+) in the Mg[N(SO2CF3)2]2-CH3CN system.
• Authors of publication: Veryasov, Gleb; Matsumoto, Kazuhiko; Hagiwara, Rika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2810 - 2813
• a: 8.8749 ± 0.0005 Å
• b: 15.2823 ± 0.0008 Å
• c: 12.9264 ± 0.0007 Å
• α: 90°
• β: 104.857 ± 0.002°
• γ: 90°
• Cell volume: 1694.58 ± 0.16 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.034
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No