Information card for entry 7224613

Structure parameters

• Formula: C36 H176 N9 Na9 O223 Se6 Sn6 W54
• Calculated formula: C36 N9 Na3 O222 Se6 Sn6 W54
• SMILES: CC(=O)O[Sn]1(C)(C)[O]=[W]2345O[W]678([O]9[Se]%10=[O]%11[W]%12%13%14(O[W]%15%16(O[W]%17%18%19(O[W]%20(O5)(O[W]5%21%22([O]%23[Se]%24=[O]%25[W]%26%27%28(O[W](O[W]%29(O[W](O6)([O]%24%29)(=O)(O%21)O%20)(O%26)(=O)O[W]69(O[W]9(O[W]%20(O%16)([O]%10[W](O4)(O7)(O9)(=O)O%20)(O%13)=O)(O[W]%11(O%27)(O%14)(O6)=O)=O)(O8)=O)(O[W]%23(O%18)(O[W]%25(O%12)(=O)(O%19)O%28)(=O)O%22)(O5)=O)=O)=O)(=O)=[O][Sn]4([O]=%17)(C)(C)[O]5[W]678(=[O][Sn]5(C)(C)OC(C)=O)O[W]59%10(O[W]%11%12([O]%13[Se]%14=[O]%16[W]%17%18%19(O[W]%20(O[W]%21%13(O[W]%13(O[W]%22%23%24(O[W]%25(O8)(O[W]8%26%27([O]%28[Se]%29=[O]%30[W]%31%32(O[W](O[W]%33(O[W](O9)([O]%29%33)(=O)(O%26)O%25)(O%31)(=O)O[W]([O]5%14)(O%20)(O%19)(O%10)=O)(O[W]%28(O%23)(O[W]%30(O[W]%16(O%13)(O%21)(O%18)=O)(=O)(O%24)O%32)(=O)O%27)(O8)=O)(O%17)=O)=O)(=O)=[O][Sn]5(C)(C)([O]8[W]9%10%13(=[O][Sn]8(C)(C)OC(C)=O)O[W]8%14%16(O[W]%17%18([O]%19[Se]%20=[O]%21[W]%23%24%25(O[W]%26(O[W]%27%19(O[W]%19(O[W]%28%29%30(O[W]%31(O%13)(O[W]%13%32%33([O]%34[Se]%35=[O]%36[W]%37%38(O[W](O[W]%39(O[W](O%14)([O]%35%39)(=O)(O%32)O%31)(O%37)(=O)O[W]([O]8%20)(O%26)(O%25)(O%16)=O)(O[W]%34(O%29)(O[W]%36(O[W]%21(O%19)(O%27)(O%24)=O)(=O)(O%30)O%38)(=O)O%33)(O%13)=O)(O%23)=O)=O)(=O)=[O][Sn](C)(C)([O]12)([O]=%15)[O]=%28)=O)(=[O]5)(O9)=O)(=O)O%18)(O%17)=O)=O)(O%10)=O)=O)[O]=%22)=O)(O4)(O6)=O)(=O)O%12)(O%11)=O)=O)(O7)=O)=O)=O)(O3)=O)=O)=O.C[NH2+]C.C[NH2+]C.[NH2+](C)C.[Na+].[Na+].O.O.O.O.O.O.O.O.C[NH2+]C.C[NH2+]C.C[NH2+]C.C[NH2+]C.[NH2+](C)C.[NH2+](C)C.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Trimeric hexa-dimethyltin-functionalized selenotungstate [{Sn(CH3)2(CH3COO)}3{Sn(CH3)2}3{Se2W18O62(OH)(H2O)}3]18−
• Authors of publication: Chen, Wei-Chao; Qin, Chao; Wang, Xin-Long; Wu, Cai-Xia; Li, Yang-Guang; Zang, Hong-Ying; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 2820
• a: 27.5538 ± 0.0005 Å
• b: 27.5538 ± 0.0005 Å
• c: 22.0582 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14503.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No