Information card for entry 4341702

Structure parameters

• Formula: C96 H128 Co4 Li8 O114
• Calculated formula: C96 H128 Co4 Li8 O114
• SMILES: [C@@H]12[C@@H]3[C@@H]4O[C@@H]([C@H]1[O]1[C@@H]5[C@@H]6O[Li]71([OH2])[O]2[Co]1([OH2])(O3)O[C@@H]2[C@@H]3[C@H]8[C@@H](CO)O[C@@H]2O[C@@H]2[C@@H](CO)O[C@H]9[C@@H]([C@H]2O7)O[Li]2([OH2])[O]7[C@@H]%10[C@@H]%11[C@H](O[C@@H]([C@H]%10O9)CO)O[C@@H]9[C@@H](CO)O[C@@H]%10O[C@H]%12[C@H]%13[C@@H]%14[C@H](O[C@@H]%12CO)O[C@@H]%12[C@@H](CO)O[C@@H]%15O[C@H]%16[C@H]%17[C@@H]%18[C@H](O[C@@H]%16CO)O[C@@H]%16[C@@H](CO)O[C@H](O8)[C@H]8[C@H]%16O[Li]%16%19([OH2])[O]%20[C@@H]%21[C@@H]%22[C@H](O[C@@H]([C@H]%21[O]%16[C@H]%16O[C@@H]([C@H]([C@H](O[Li]([OH2])([O]13)O8)[C@H]%16O%19)O4)CO)CO)O[C@H]1[C@@H]3O[Li]([OH2])([O]%17[Co]%20([OH2])(O%22)O%18)O[C@@H]%15[C@H]%12O[Li]48([OH2])[O]%12[C@@H]%15[C@@H]%16[C@H](O[C@@H]([C@H]%15[O]4[C@@H](O[C@@H]1CO)[C@@H]3O8)CO)O[C@H]1[C@@H]3O[Li]([OH2])([O]%13[Co]%12([OH2])(O%16)O%14)O[C@@H]%10[C@H]9O[Li]48([OH2])[O]9[C@@H]%10[C@H]([C@H](O[C@@H]([C@H]%10[O]4[C@@H](O[C@@H]1CO)[C@@H]3O8)CO)O[C@@H]([C@@H]6O2)[C@@H](CO)O5)O[Co]79([OH2])O%11)CO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Supramolecular Control over Molecular Magnetic Materials: γ-Cyclodextrin-Templated Grid of Cobalt(II) Single-Ion Magnets
• Authors of publication: Nedelko, Natalia; Kornowicz, Arkadiusz; Justyniak, Iwona; Aleshkevych, Pavlo; Prochowicz, Daniel; Krupiński, Piotr; Dorosh, Orest; Ślawska-Waniewska, Anna; Lewiński, Janusz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141119083628003
• a: 25.4682 ± 0.0009 Å
• b: 25.4682 ± 0.0009 Å
• c: 15.3628 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9964.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 75
• Hermann-Mauguin space group symbol: P 4
• Hall space group symbol: P 4
• Residual factor for all reflections: 0.1663
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2426
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No