Information card for entry 4105206

Structure parameters

• Chemical name: Na7[(V=O)7Na7(H2O)7(b-CD)2].39H2O (2)
• Formula: C84 H204 Na14 O123 V7
• Calculated formula: C84 H112 Na7 O84 V7
• SMILES: [V]123(=O)[O]4[Na]56([OH2])[O]2[C@H]2[C@@H]7O[C@@H]([C@H]8O[C@H]9O[C@@H]([C@H]%10O[C@H]%11O[C@@H]([C@H]%12O[C@H]%13O[C@@H]([C@H]%14O[C@H]%15O[C@@H]([C@H]%16O[C@H]%17O[C@@H]([C@H]%18O[C@H]%19O[C@@H]([C@@H](O7)[C@@H]7[O]6[V]6%20(=O)[O]%21[Na]%22([OH2])([O]%23[V]%24%25(=O)[O]%26[Na]%27([OH2])([O]%28[V]%29%30(=O)[O]%31[Na]%32([OH2])([O]%33[V]%34%35(=O)[O]%36[Na]%37([OH2])([O]%38[V]%39%40(=O)[O]%41[Na]%42([OH2])([O]%43[V]%44%45(=O)[O]%46[Na]([OH2])([O]1[C@H]1[C@@H]%47O[C@@H]([C@@H](O[C@H]%48O[C@@H]([C@@H](O[C@H]%49O[C@@H]([C@@H](O[C@H]%50O[C@@H]([C@@H](O[C@H]%51O[C@@H]([C@@H](O[C@H]%52O[C@@H]([C@@H](O[C@H]%53O[C@@H]([C@@H](O%47)[C@H]%46[C@@H]%43%53)CO)[C@H]%41[C@@H]%38%52)CO)[C@H]%36[C@@H]%33%51)CO)[C@H]%31[C@@H]%28%50)CO)[C@H]%26[C@@H]%23%49)CO)[C@H]%21[C@H]%48[O]56)CO)[C@H]41)CO)([O]3[C@H]28)[O]%44[C@@H]9[C@H]%10[O]%42%45)[O]%39[C@@H]%11[C@H]%12[O]%37%40)[O]%34[C@@H]%13[C@H]%14[O]%32%35)[O]%29[C@@H]%15[C@H]%16[O]%27%30)[O]%24[C@@H]%17[C@H]%18[O]%22%25)[O]%20[C@@H]%197)CO)CO)CO)CO)CO)CO)CO
• Title of publication: Templating Odd Numbered Magnetic Rings: Oxovanadium Heptagons Sandwiched by β-Cyclodextrins
• Authors of publication: Norihisa Hoshino; Motohiro Nakano; Hiroyuki Nojiri; Wolfgang Wernsdorfer; Hiroki Oshio
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 15100 - 15101
• a: 21.322 ± 0.008 Å
• b: 18.694 ± 0.007 Å
• c: 23.798 ± 0.009 Å
• α: 90°
• β: 100.184 ± 0.006°
• γ: 90°
• Cell volume: 9336 ± 6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1137
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1925
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No