Information card for entry 2224432

Structure parameters

• Chemical name: Tetrakis(μ~2~-5-methylpyrazine-2-carboxylato)- 1:4κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>;2:3κ^3^<i>O</i>:<i>N</i>^1^,<i>O</i>; 1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:4κ<i>O</i>'-octaoctyl- 1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido- 1:2:3κ^3^<i>O</i>;1:3:4κ^3^<i>O</i>-tetratin(IV)
• Formula: C88 H156 N8 O10 Sn4
• Calculated formula: C88 H156 N8 O10 Sn4
• SMILES: [Sn]12([O](C(=O)c3cnc(cn3)C)[Sn]34([O]=C(c5cnc(cn5)C)O[Sn]5([O](C(c6cnc(cn6)C)=O)[Sn]([O]=C(c6cnc(cn6)C)O1)([O]23)([O]45)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC
• Title of publication: Tetrakis(μ~2~-5-methylpyrazine-2-carboxylato)-1:2κ^3^<i>N</i>^1^,<i>O</i>:<i>O</i>;2:3κ^3^<i>O</i>:<i>N</i>^1^,<i>O</i>;1:2κ^2^<i>O</i>:<i>O</i>';3:4κ^2^<i>O</i>:<i>O</i>'-octaoctyl-1κ^2^<i>C</i>,2κ^2^<i>C</i>,3κ^2^<i>C</i>,4κ^2^<i>C</i>-di-μ~3~-oxido-1:2:3κ^3^<i>O</i>;1:3:4κ^3^<i>O</i>-tetratin(IV)
• Authors of publication: Gao, Zhongjun; Li, Fahui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1579
• a: 12.406 ± 0.004 Å
• b: 13.282 ± 0.004 Å
• c: 16.223 ± 0.005 Å
• α: 76.623 ± 0.004°
• β: 73.361 ± 0.004°
• γ: 86.522 ± 0.003°
• Cell volume: 2491.7 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.2227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes