Information card for entry 7057388

Structure parameters

• Formula: C26 H26.5 Ga N9 O4.25 S2
• Calculated formula: C26 H26.25 Ga N9 O4.25 S2
• Title of publication: Gallium(iii)‒2-benzoylpyridine-thiosemicarbazone complexes promote apoptosis through Ca2+ signaling and ROS-mediated mitochondrial pathways
• Authors of publication: Qi, Jinxu; Qian, Kun; Tian, Liang; Cheng, Zhen; Wang, Yihong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 10226
• a: 13.263 ± 0.004 Å
• b: 11.598 ± 0.004 Å
• c: 18.773 ± 0.006 Å
• α: 90°
• β: 94.273 ± 0.005°
• γ: 90°
• Cell volume: 2879.7 ± 1.6 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No