Information card for entry 7713686

Structure parameters

• Formula: C27.2 H24.97 Cl0.5 F3 Ga N4 O7.28 P0.5
• Calculated formula: C27.2 H24.9666 Cl0.5 F3 Ga N4 O7.2833 P0.5
• Title of publication: Synthesis, characterisation and antibacterial activity of novel Ga(III) polypyridyl catecholate complexes
• Authors of publication: More O'Ferrall, Lewis; Piatek, Magdalena; Twamley, Brendan; Kavanagh, Kevin; O'Connor, Christine; Griffith, Darren Martin
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 32.0378 ± 0.001 Å
• b: 32.0378 ± 0.001 Å
• c: 23.4142 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 24032.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.1949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No