Information card for entry 7044091

Structure parameters

• Formula: C60 H62 Cu2 Na2 O24 Si10
• Calculated formula: C60 H62 Cu2 Na2 O24 Si10
• SMILES: [Cu]123O[Si]4(O[Si]5(O[Si]6(O[Si]7(O[Si](O4)(O[Si]4(O[Si](O2)(O[Si]2(O[Si](O[Si](O4)(O7)c4ccccc4)(O[Cu]([O]15)([O]32)O6)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[Na+].O.O.O.[Na+].O.O.O
• 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: 25.42 ± 0.005 Å
• b: 16.08 ± 0.003 Å
• c: 20.02 ± 0.004 Å
• α: 90°
• β: 116.21 ± 0.03°
• γ: 90°
• Cell volume: 7342 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1403
• Residual factor for significantly intense reflections: 0.1221
• Weighted residual factors for significantly intense reflections: 0.2637
• Weighted residual factors for all reflections included in the refinement: 0.2857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.9669 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No