Information card for entry 1571428

Structure parameters

• Formula: C42 H46 Cl4 Mg N6 O6
• Calculated formula: C42 H46 Cl4 Mg N6 O6
• Title of publication: Therapeutic coordination polymers: tailoring drug release through metal-ligand interactions.
• Authors of publication: Murphy, Jennifer N.; Kobti, Joy-Lynn; Dao, Michelle; Wear, Darcy; Okoko, Michael; Pandey, Siyaram; Vukotic, V. Nicholas
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 7041 - 7050
• a: 8.4844 ± 0.0001 Å
• b: 20.9466 ± 0.0002 Å
• c: 12.8419 ± 0.0001 Å
• α: 90°
• β: 107.427 ± 0.001°
• γ: 90°
• Cell volume: 2177.5 ± 0.04 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No