Information card for entry 7715081

Structure parameters

• Formula: C21 H42 Ga N3 S6
• Calculated formula: C21 H42 Ga N3 S6
• SMILES: [Ga]123(SC(=[S]1)N(CCC)CCC)(SC(=[S]2)N(CCC)CCC)[S]=C(S3)N(CCC)CCC
• 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: 10.3567 ± 0.0007 Å
• b: 17.1715 ± 0.0014 Å
• c: 17.2231 ± 0.0014 Å
• α: 90°
• β: 90.13 ± 0.007°
• γ: 90°
• Cell volume: 3062.9 ± 0.4 ų
• Cell temperature: 142.9 ± 0.2 K
• Ambient diffraction temperature: 142.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1697
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No