Information card for entry 2229218

Structure parameters

• Chemical name: 3-Methoxycarbonyl-1-methylpyrazinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(IV)
• Formula: C12 H12 Cl4 N4 O4 Sn
• Calculated formula: C12 H12 Cl4 N4 O4 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)(Cl)OC(=O)c2[n]1ccnc2.O(C)C(=O)c1ncc[n+](c1)C
• Title of publication: 3-Methoxycarbonyl-1-methylpyrazinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>)stannate(IV)
• Authors of publication: Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m238
• a: 7.0655 ± 0.0002 Å
• b: 26.7603 ± 0.0007 Å
• c: 9.522 ± 0.0002 Å
• α: 90°
• β: 94.554 ± 0.002°
• γ: 90°
• Cell volume: 1794.69 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes