Information card for entry 7038757

Structure parameters

• Formula: C81 H100 N7 Na Ni5 O28 Si10
• Calculated formula: C81 H100 N7 Na Ni5 O28 Si10
• SMILES: [Ni]12345678[Ni]9%10%11%12%13%14%15[Ni]%16%17%18%19%20([Ni]%21%22%23%24([Ni]%25%26%271([O]%21[Si]1(O[Si]([O]6%27)(O[Si]([O]5%12[Na]29([O]3%10[Si]2(O[Si]([O]%13%17)(O[Si]([O]%18%23)(O[Si]([O]%22%26)(O[Si]([O]4%25)(O2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)c2ccccc2)([O]%14=CN(C)C)([O]7=CN(C)C)([O]=CN(C)C)[O]=CN(C)C)(O[Si]([O]%11%16)(O[Si]([O]%19%24)(O1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[O]=CN(C)C)([O]=CN(C)C)[OH]8%15%20)[O]=CN(C)C
• Title of publication: Unusual penta- and hexanuclear Ni(ii)-based silsesquioxane polynuclear complexes.
• Authors of publication: Bilyachenko, Alexey N.; Yalymov, Alexey I.; Korlyukov, Alexander A.; Long, Jérôme; Larionova, Joulia; Guari, Yannick; Vologzhanina, Anna V.; Es'kova, Marina A.; Shubina, Elena S.; Levitsky, Mikhail M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 17
• Pages of publication: 7320 - 7327
• a: 20.1408 ± 0.0017 Å
• b: 18.6886 ± 0.0016 Å
• c: 27.306 ± 0.002 Å
• α: 90°
• β: 92.703 ± 0.002°
• γ: 90°
• Cell volume: 10266.6 ± 1.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No