Information card for entry 2218703

Structure parameters

• Chemical name: Aquadi-<i>n</i>-butyl(5-methylpyrazine-2-carboxylato)tin(IV) methanol solvate
• Formula: C21 H34 N4 O6 Sn
• Calculated formula: C21 H34 N4 O6 Sn
• SMILES: [Sn]12([n]3c(C(=O)O1)cnc(c3)C)([n]1c(C(=O)O2)cnc(c1)C)([OH2])(CCCC)CCCC.CO
• Title of publication: Aquadi-<i>n</i>-butyl(5-methylpyrazine-2-carboxylato)tin(IV) methanol solvate
• Authors of publication: Gao, Zhongjun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m864
• a: 20.609 ± 0.005 Å
• b: 17.119 ± 0.004 Å
• c: 14.558 ± 0.003 Å
• α: 90°
• β: 98.178 ± 0.003°
• γ: 90°
• Cell volume: 5084 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes