Information card for entry 7715082

Structure parameters

• Formula: C18 H30 Ga N3 S6
• Calculated formula: C18 H30 Ga N3 S6
• SMILES: [Ga]123([S]=C(S1)N1CCCCC1)(SC(=[S]2)N1CCCCC1)SC(=[S]3)N1CCCCC1
• Title of publication: Synthesis, characterization and <i>in vitro</i> cytotoxicity of gallium(III)-dithiocarbamate complexes.
• Authors of publication: Salvarese, Nicola; Morellato, Nicolò; Gobbi, Carolina; Gandin, Valentina; De Franco, Michele; Marzano, Cristina; Dolmella, Alessandro; Bolzati, Cristina
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4526 - 4543
• a: 13.2161 ± 0.0006 Å
• b: 11.9598 ± 0.0004 Å
• c: 15.9645 ± 0.0009 Å
• α: 90°
• β: 100.562 ± 0.005°
• γ: 90°
• Cell volume: 2480.6 ± 0.2 ų
• Cell temperature: 129.8 ± 0.3 K
• Ambient diffraction temperature: 129.8 ± 0.3 K
• Number of distinct elements: 5
• 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: 0.0776
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No