Information card for entry 7044089

Structure parameters

• Formula: C106 H112 Cu4 N10 Na2 O24 Si12
• Calculated formula: C106 H112 Cu4 N10 Na2 O24 Si12
• SMILES: [Cu]123[O]4[Cu]56[O]7[Si]8(O[Si]9(O[Cu]%10%11[O]%12[Si]%13([O]%14[Si]%15([O]%16[Cu]%17%12[O]%10[Si](O[Si]%10(O[Si](O2)([O]2[Si]([O]35)([O]([Si](O%15)([O]6[Na]7%14([O]9%13)([N]#CC)[N]#CC)c3ccccc3)[Na]%162([O]%17%10)([N]#CC)[N]#CC)c2ccccc2)c2ccccc2)c2ccccc2)(O[Si](O[Si](O1)(O[Si]4(O8)c1ccccc1)c1ccccc1)(O%11)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[N+](c1ccccc1)(C)(C)C.N#CC.C(#N)C.[N+](c1ccccc1)(C)(C)C.N#CC.C(#N)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: 20.3032 ± 0.001 Å
• b: 20.2902 ± 0.001 Å
• c: 29.2211 ± 0.0015 Å
• α: 90°
• β: 101.772 ± 0.001°
• γ: 90°
• Cell volume: 11784.6 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No