Information card for entry 7036936

Structure parameters

• Formula: C22 H30 Cl Ga N6 O2 S4
• Calculated formula: C22 H30 Cl Ga N6 O2 S4
• Title of publication: Microwave gallium-68 radiochemistry for kinetically stable bis(thiosemicarbazone) complexes: structural investigations and cellular uptake under hypoxia.
• Authors of publication: Alam, Israt S.; Arrowsmith, Rory L.; Cortezon-Tamarit, Fernando; Twyman, Frazer; Kociok-Köhn, Gabriele; Botchway, Stanley W.; Dilworth, Jonathan R.; Carroll, Laurence; Aboagye, Eric O.; Pascu, Sofia I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 144 - 155
• a: 11.5523 ± 0.0001 Å
• b: 11.7595 ± 0.0003 Å
• c: 12.0749 ± 0.0003 Å
• α: 114.468 ± 0.002°
• β: 105.483 ± 0.0017°
• γ: 93.4737 ± 0.0018°
• Cell volume: 1411.2 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No