Information card for entry 7047831

Structure parameters

• Formula: C114 H111 Cu5 N6 Na O28.33 Si12
• Calculated formula: C114 H111 Cu5 N6 Na O28.3333 Si12
• Title of publication: A new "bicycle helmet"-like copper(ii),sodiumphenylsilsesquioxane. Synthesis, structure and catalytic activity.
• Authors of publication: Kulakova, Alena N.; Bilyachenko, Alexey N.; Korlyukov, Alexander A.; Shul'pina, Lidia S.; Bantreil, Xavier; Lamaty, Frédéric; Shubina, Elena S.; Levitsky, Mikhail M.; Ikonnikov, Nikolay S.; Shul'pin, Georgiy B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 44
• Pages of publication: 15666 - 15669
• a: 28.8235 ± 0.0009 Å
• b: 24.5281 ± 0.0008 Å
• c: 20.8021 ± 0.0007 Å
• α: 90°
• β: 105.82 ± 0.002°
• γ: 90°
• Cell volume: 14149.7 ± 0.8 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: 0.1013
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2299
• Weighted residual factors for all reflections included in the refinement: 0.2395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No