Information card for entry 7028318

Structure parameters

• Formula: C104 H140 Cu4 Na4 O32 Si12
• Calculated formula: C104 H140 Cu4 Na4 O32 Si12
• Title of publication: Solvent-controlled synthesis of tetranuclear cage-like copper(II) silsesquioxanes. Remarkable features of the cage structures and their high catalytic activity in oxidation with peroxides.
• Authors of publication: Dronova, Marina S.; Bilyachenko, Alexey N.; Yalymov, Alexey I.; Kozlov, Yuriy N.; Shul'pina, Lidia S.; Korlyukov, Alexander A.; Arkhipov, Dmitry E.; Levitsky, Mikhail M.; Shubina, Elena S.; Shul'pin, Georgiy B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 2
• Pages of publication: 872 - 882
• a: 30.9472 ± 0.0019 Å
• b: 30.9472 ± 0.0019 Å
• c: 12.6009 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12068.2 ± 1.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.2194
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.1704
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No