Information card for entry 2312146

Structure parameters

• Chemical name: μ-1,4-Bis(3-aminopropyl)piperazine-κ^4^<i>N</i>^1^,<i>N</i>^1'^:<i>N</i>^4^,<i>N</i>^4'^-bis[bis(tri-<i>tert</i>-butoxysilanethiolato-κ<i>S</i>)cadmium(II)]
• Formula: C58 H132 Cd2 N4 O12 S4 Si4
• Calculated formula: C58 H132 Cd2 N4 O12 S4 Si4
• Title of publication: Solvent influence on the crystal structures of new cadmium tri-tert-butoxysilanethiolate complexes with 1,4-bis(3-aminopropyl)piperazine: luminescence and antifungal activity.
• Authors of publication: Kowalkowska-Zedler, Daria; Bruździak, Piotr; Hnatejko, Zbigniew; Łyszczek, Renata; Brillowska-Dąbrowska, Anna; Ponikiewski, Łukasz; Cieśla, Bartosz; Pladzyk, Agnieszka
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2023
• a: 9.6433 ± 0.0002 Å
• b: 29.0546 ± 0.0004 Å
• c: 14.5665 ± 0.0002 Å
• α: 90°
• β: 91.466 ± 0.001°
• γ: 90°
• Cell volume: 4079.94 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes