Information card for entry 7713683

Structure parameters

• Formula: C28 H24 F6 Ga N4 O5 P
• Calculated formula: C28 H24 F6 Ga N4 O5 P
• SMILES: [Ga]123([n]4ccccc4c4cccc[n]14)([n]1ccccc1c1cccc[n]21)Oc1c(C(=O)O)cccc1O3.OC.[P](F)(F)(F)(F)(F)[F-]
• 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: 24.412 ± 0.002 Å
• b: 9.5067 ± 0.0008 Å
• c: 23.7787 ± 0.0019 Å
• α: 90°
• β: 93.72 ± 0.002°
• γ: 90°
• Cell volume: 5506.9 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1044
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• 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: No
• Has Fobs: No