Information card for entry 7015822

Structure parameters

• Formula: C40 H36 Cl2 Ga2 N12 S4
• Calculated formula: C40 H36 Cl2 Ga2 N12 S4
• Title of publication: Fluorescent gallium and indium bis(thiosemicarbazonates) and their radiolabelled analogues: Synthesis, structures and cellular confocal fluorescence imaging investigations.
• Authors of publication: Arrowsmith, Rory L.; Waghorn, Philip A.; Jones, Michael W.; Bauman, Andreas; Brayshaw, Simon K.; Hu, Zhiyuan; Kociok-Köhn, Gabriele; Mindt, Thomas L.; Tyrrell, Rex M.; Botchway, Stanley W.; Dilworth, Jonathan R.; Pascu, Sofia I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 23
• Pages of publication: 6238 - 6252
• a: 13.5804 ± 0.0002 Å
• b: 13.9045 ± 0.0002 Å
• c: 14.2719 ± 0.0003 Å
• α: 85.0325 ± 0.0008°
• β: 78.5068 ± 0.0009°
• γ: 78.8082 ± 0.0007°
• Cell volume: 2587.46 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No