Information card for entry 7044088

Structure parameters

• Formula: C88 H108 Cu4 Na4 O32 S8 Si12
• Calculated formula: C88 H108 Cu4 Na4 O32 S8 Si12
• SMILES: [Cu]123[O]4[Na]5([O]=S(C)C)([O]1[Si]1(O[Si]6([O]5[Si]5([O]7[Cu]89[O]6[Na]6%10([O]8[Si]8(O[Si]%11([O]%12[Na]%13([O]=S(C)C)([O]%14[Cu]%15([O]2[Si]2([O]%16[Na]%17%18([O]2[Si]4(c2ccccc2)[O][Si]([O]%18[Cu]7([O]9%11)[O]%17[Si]%12(O[Si]%16([O]%13%15)c2ccccc2)c2ccccc2)(O5)c2ccccc2)([O]=S(C)C)[O]=S(C)C)c2ccccc2)[O]3[Si]([O]16)([O]%10[Si]%14(O8)c1ccccc1)c1ccccc1)[O]=S(C)C)c1ccccc1)c1ccccc1)([O]=S(C)C)O=S(C)C)c1ccccc1)c1ccccc1)c1ccccc1)[O]=S(C)C
• 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: 39.603 ± 0.003 Å
• b: 44.958 ± 0.003 Å
• c: 12.7721 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 22740 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No