Information card for entry 1571802

Structure parameters

• Formula: C56 H52.5 N13 O10.5 Pd S2
• Calculated formula: C56 H52.5 N13 O10.3333 Pd S2
• Title of publication: Comparing organic and metallo-organic hydrazone molecular cages as potential carriers for doxorubicin delivery
• Authors of publication: Montà-González, Giovanni; Bastante-Rodríguez, David; García-Fernández, Alba; Lusby, Paul J.; Martínez-Máñez, Ramón; Martí-Centelles, Vicente
• Journal of publication: Chemical Science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 10010 - 10017
• a: 19.662 ± 0.0013 Å
• b: 23.7645 ± 0.0017 Å
• c: 19.8456 ± 0.0014 Å
• α: 90°
• β: 113.508 ± 0.002°
• γ: 90°
• Cell volume: 8503.4 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No