Information card for entry 7115898

Structure parameters

• Common name: gallium (III) PPIX chloroquine complex
• Formula: C57.75 H76.25 Cl Ga N7 O13.25
• Calculated formula: C57.75 H76.25 Cl Ga N7 O13.25
• Title of publication: Orienting the heterocyclic periphery: a structural model for chloroquine's antimalarial activity
• Authors of publication: Erin L. Dodd; D. Scott Bohle
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13765
• a: 29.9311 ± 0.0009 Å
• b: 14.6378 ± 0.0003 Å
• c: 28.7485 ± 0.0006 Å
• α: 90°
• β: 98.328 ± 0.002°
• γ: 90°
• Cell volume: 12462.6 ± 0.5 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 6
• 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: 0.0925
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No