Information card for entry 1552188

Structure parameters

• Formula: C196 H376 N10 Na2 O82 Sn34
• Calculated formula: C190 H342 N9 Na2 O72 Sn34
• SMILES: [Sn]1234([O]5[Sn]678([O]9[Sn]%105([O]5[Sn]%11%12([O]%13%14[Sn]%15%16%17([O]%18[Sn]%195([O]1[Na]15%14([O]%14%20[Sn]%21%22([O]%23[Sn]%24%25%26([O]1[Sn]1%27([O]%28[Sn]%29(O[Sn]%30%31%32(O[Sn]%33(OC(=O)c%34cccc[n]%33%34)([O]%19[Sn]%19%18([O]%30[Sn]%18%30([O]%33[Sn]%14([O]%155%18)([O]%24[Sn]%33([O]%31%30)([O]%26[Sn]5%28(O%32)(OC(=O)c%14cccc[n]5%14)CCCC)CCCC)([O]%17[Sn]5%13%20([O]%11[Sn]%11%13([O]%14[Sn]%15%17([O]7[Sn]%23([O]61)([O]%22%15)CCCC)([O]%13[Na]167(OC(=[O][Sn]%13%15%18([O]%20[Sn]%22%23([O]%13[Sn]%13%24([O]%26[Sn]%28%30([O]%13[Sn]%13([O]%31[Sn]%32([O]%15%13)([O]%13[Sn]%15%33%34([O]%35[Sn]%36([O]%22[Sn]%22%20([O]%32%33)(OC(=O)c%20[n]%22cccc%20)CCCC)([O]%23[Sn]%20%26([O]%30[Sn]%35(O%15)([O]%28[Sn]%15%31%13(OC(=O)c%13cccc[n]%15%13)CCCC)(O%36)CCCC)(OC(=O)c%13[n]%20cccc%13)CCCC)([O]%34)CCCC)CCCC)CCCC)([O]=C(O1)c1ccccn1)([O]7%18%24)CCCC)CCCC)([O]=C(O6)c1ncccc1)CCCC)CCCC)CCCC)c1ccccn1)[O]%17[Sn]9%14([O]%10%12)(O%11)CCCC)CCCC)([O]%215)CCCC)CCCC)CCCC)([O]%16%19)CCCC)CCCC)([O]3%29)CCCC)CCCC)([O]4%27)CCCC)(O%25)CCCC)CCCC)CCCC)O8)(O2)CCCC)CCCC)CCCC)CCCC)CCCC)CCCC.[O-]C(=O)c1ccccn1
• Title of publication: Assembly of High-Nuclearity Sn26, Sn34-Oxo Clusters: Solvent Strategy and Inorganic Sn Incorporation
• Authors of publication: Zhu, Yu; Zhang, Lei; Zhang, Jian
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 29.065 ± 0.006 Å
• b: 17.858 ± 0.003 Å
• c: 57.743 ± 0.011 Å
• α: 90°
• β: 101.046 ± 0.003°
• γ: 90°
• Cell volume: 29416 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1503
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No