Information card for entry 7023207

Structure parameters

• Formula: C6 F Li3 N6 O6 Sr2
• Calculated formula: C6 F Li3 N6 O6 Sr2
• SMILES: [F-].[Li+].[O-]c1nc([O-])nc([O-])n1.[Sr+2].c1([O-])nc([O-])nc([O-])n1.[Li+].[Li+].[Sr+2]
• Title of publication: From cyanate to cyanurate: cyclotrimerization reactions towards the novel family of metal cyanurates.
• Authors of publication: Kalmutzki, Markus; Ströbele, Markus; Meyer, H-Jürgen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 12934 - 12939
• a: 6.8842 ± 0.0012 Å
• b: 6.8842 ± 0.0012 Å
• c: 12.066 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 495.22 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No