Information card for entry 4341298

Structure parameters

• Formula: C120 H144 Ag13 N72 O190 P4 W48
• Calculated formula: C120 H84 Ag13 N72 O190 P4 W48
• SMILES: c1(ccc(cc1)c1n2[n]3[n](n1)[Ag]1[n]4n5[Ag][n]6c(nn7[Ag][n]8c(nn9[Ag][n]%10c(nn%11[Ag][n]%12c(nn%13[Ag][n]%14c(nn([Ag][n]4c(n5)c4ccc(n5cncc5)cc4)[n]%14[Ag]4n5[n]%14[Ag]%15%163([n]3n1c(c1ccc(cc1)n1cncc1)n[n]3[Ag](n1[n]%15[n](nc1c1ccc(cc1)n1cncc1)[Ag]2[n]%12%13)[n]89)[n]1n([Ag]([n]%14nc5c2ccc(cc2)n2cncc2)[n]67)c(c2ccc(cc2)n2cncc2)n[n]1[Ag](n1[n]%16[n]4nc1c1ccc(cc1)n1cncc1)[n]%10%11)c1ccc(n2cncc2)cc1)c1ccc(n2cncc2)cc1)c1ccc(n2cncc2)cc1)c1ccc(n2cncc2)cc1)c1ccc(n2cncc2)cc1)n1cncc1.P123=[O][W]456(O[W]78(=O)O[W]9%10(=O)(O[W]%11(O[W]%12(O5)(=O)(O[W]5(O[W]%13%14(O[W](O7)(O4)(=O)O[W](O%13)(O%10)(=O)O[W]4(O9)(=O)O[W](O%14)(O5)(=O)O[W](O%12)(O%11)(=O)O4)(=O)O1)(O6)=O)O2)(O8)=O)O3)=O.P123=[O][W]456(O[W]78(=O)O[W]9%10(=O)(O[W]%11(O[W]%12(O5)(=O)(O[W]5(O[W]%13%14(O[W](O7)(O4)(=O)O[W](O%13)(O%10)(=O)O[W]4(O9)(=O)O[W](O%14)(O5)(=O)O[W](O%12)(O%11)(=O)O4)(=O)O1)(O6)=O)O2)(O8)=O)O3)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.P123=[O][W]456(O[W]78(O[W]9(O4)(=O)O[W]4%10(=O)(O[W]%11(O[W]%12(O5)(=O)(O[W]5(O[W]%13(O7)(=O)(O[W](O4)(O8)(=O)O[W]4(O%10)(=O)O[W](O%12)(O%11)(=O)O[W](O%13)(O5)(=O)O4)O3)(O6)=O)O1)(O9)=O)O2)=O)=O.P123=[O][W]456(O[W]78(O[W]9(O4)(=O)O[W]4%10(=O)(O[W]%11(O[W]%12(O5)(=O)(O[W]5(O[W]%13(O7)(=O)(O[W](O4)(O8)(=O)O[W]4(O%10)(=O)O[W](O%12)(O%11)(=O)O[W](O%13)(O5)(=O)O4)O3)(O6)=O)O1)(O9)=O)O2)=O)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A nanosized {ag@ag12} "molecular windmill" templated by polyoxometalates anions.
• Authors of publication: Wang, Lei; Yang, Weiting; Zhu, Wei; Guan, Xingang; Xie, Zhigang; Sun, Zhong-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11584 - 11588
• a: 21.6944 ± 0.0004 Å
• b: 21.6944 ± 0.0004 Å
• c: 51.068 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20814.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1025
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No