Information card for entry 7013365

Structure parameters

• Formula: C192 H348 N8 O26 S8 Sn18
• Calculated formula: C192 H348 N8 O26 S8 Sn18
• SMILES: C1(=O)O[Sn]2(OC3=[O][Sn]4([O]2[Sn]2(CCCC)(CCCC)[O]4[Sn]4(CCCC)(CCCC)[O]2[Sn]2(CCCC)(CCCC)[O]4[Sn]4([O]=C(O[Sn](OC(=O)c5c(nccc5)S[Sn](Sc5c1cccn5)(CCCC)CCCC)(CCCC)(CCCC)[O]24)c1c(nccc1)S[Sn](Sc1ncccc1C1=[O][Sn]2(OC(=O)c4c(nccc4)S[Sn](Sc4c(cccn4)C(=O)O[Sn]4([O]=C(O[Sn]5(CCCC)(CCCC)[O]6[Sn]7(CCCC)(CCCC)[O]8[Sn](O1)([O]2[Sn]8(CCCC)(CCCC)[O]7[Sn]6(CCCC)(CCCC)[O]45)(CCCC)CCCC)c1c(nccc1)S[Sn](Sc1ncccc31)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC)(CCCC)CCCC
• Title of publication: Synthesis and crystal structure characterization of a novel eighteen-tin-nuclear macrocyclic complex
• Authors of publication: Ma, Chunlin; Jiang, Qin; Zhang, Rufen; Wang, Daqi
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 2975
• a: 19.47 ± 0.007 Å
• b: 20.117 ± 0.007 Å
• c: 32.954 ± 0.012 Å
• α: 90°
• β: 94.061 ± 0.007°
• γ: 90°
• Cell volume: 12875 ± 8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.3465
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.655
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No