Information card for entry 4515403

Structure parameters

• Formula: C76 H87 Cu N10 O12 S2
• Calculated formula: C76 H87 Cu N10 O12 S2
• Title of publication: Rationally Developed Metallogelators Derived from Pyridyl Derivatives of NSAIDs Displaying Anti-Inflammatory and Anticancer Activities.
• Authors of publication: Sarkar, Koushik; Khasimbi, Shaik; Mandal, Souvik; Dastidar, Parthasarathi
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 36
• Pages of publication: 30649 - 30661
• a: 21.168 ± 0.019 Å
• b: 10.192 ± 0.009 Å
• c: 36.49 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7873 ± 12 ų
• Cell temperature: 156 ± 2 K
• Ambient diffraction temperature: 156.05 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No