Information card for entry 7245499

Structure parameters

• Formula: C12 H8 Ca N2 O4
• Calculated formula: C12 H8 Ca N2 O4
• Title of publication: A Ca-Based Nano Bio-Coordination Polymer Providing Reversible Structural Conversion with Ability to Enhancing Cytotoxicity of Curcumin and Inducing Apoptosis in Human Gastric Cancer AGS Cells
• Authors of publication: Karimi Alavijeh, Roya; Akhbari, Kamran; White, Jonathan
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 8.981 ± 0.0018 Å
• b: 16.792 ± 0.003 Å
• c: 8.986 ± 0.0018 Å
• α: 90°
• β: 119.47 ± 0.03°
• γ: 90°
• Cell volume: 1179.8 ± 0.5 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 5
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.710918 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No