Information card for entry 2231791

Structure parameters

• Chemical name: 8-Hydroxy-2-methylquinolinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)stannate(IV) methanol monosolvate
• Formula: C16 H17 Cl4 N3 O4 Sn
• Calculated formula: C16 H17 Cl4 N3 O4 Sn
• SMILES: [Sn]1(Cl)(Cl)(Cl)(Cl)OC(=O)c2[n]1ccnc2.Oc1c2[nH+]c(ccc2ccc1)C.OC
• Title of publication: 8-Hydroxy-2-methylquinolinium tetrachlorido(pyrazine-2-carboxylato-κ^2^<i>N</i>^1^,<i>O</i>^2^)stannate(IV) methanol monosolvate
• Authors of publication: Vafaee, Marzieh; Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1246
• a: 6.8392 ± 0.0002 Å
• b: 16.9759 ± 0.0008 Å
• c: 17.6637 ± 0.001 Å
• α: 90.337 ± 0.004°
• β: 94.429 ± 0.004°
• γ: 92.232 ± 0.003°
• Cell volume: 2043.03 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes