Information card for entry 7245498

Structure parameters

• Formula: C12 H18 Ca N2 O9
• Calculated formula: C12 H18 Ca N2 O9
• 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: 16.9257 ± 0.0004 Å
• b: 12.3615 ± 0.0003 Å
• c: 7.6799 ± 0.0002 Å
• α: 90°
• β: 91.951 ± 0.002°
• γ: 90°
• Cell volume: 1605.91 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No