Information card for entry 7044096

Structure parameters

• Formula: C90 H102 Cu4 K2 N6 Na2 O30 Si12
• Calculated formula: C90 H102 Cu4 K2 N6 Na2 O30 Si12
• SMILES: C(=O)N(C)C.C(=O)N(C)C.[Na+].O=CN(C)C.[Si]12(O[Si]3(O[Si]4(O[Si]5(O[Si]6(O[Cu]78[O]9[Si]%10(O[Si](O[Cu]9([O]58)O4)(O[Si](O2)(O[Cu]24O[Si](O[Si](O7)(c5ccccc5)O%10)(O[Si]5([O]4[Cu](O3)([O]12)O[Si](O5)(O6)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[K+].O=CN(C)C.[Na+].O=CN(C)C.C(=O)N(C)C.[K+]
• Title of publication: Bi- and Tri-metallic Cage Silsesquioxanes: Features of Supramolecular Assembling and Magnetic Properties
• Authors of publication: Bilyachenko, Alexey; Korlyukov, Aleksander; Vologzhanina, Anna V. V.; Khrustalev, Victor N.; Kulakova, Alena Nikolaevna; Long, Jerome; Larionova, Joulia; Guari, Yannick; Dronova, Marina; Tsareva, Ulyana; Dorovatovskii, Pavel; Shubina, Elena; Levitsky, Mikhail
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 15.3886 ± 0.0003 Å
• b: 27.7686 ± 0.0005 Å
• c: 26.0338 ± 0.0005 Å
• α: 90°
• β: 101.962 ± 0.001°
• γ: 90°
• Cell volume: 10883.2 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No