Information card for entry 7715079

Structure parameters

• Formula: C15 H24 Ga N3 S6
• Calculated formula: C15 H24 Ga N3 S6
• SMILES: [Ga]123([S]=C(S1)N1CCCC1)([S]=C(S2)N1CCCC1)SC(=[S]3)N1CCCC1
• 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: 13.1191 ± 0.0003 Å
• b: 9.284 ± 0.0002 Å
• c: 17.8157 ± 0.0005 Å
• α: 90°
• β: 100.383 ± 0.002°
• γ: 90°
• Cell volume: 2134.38 ± 0.09 ų
• Cell temperature: 130 ± 9 K
• Ambient diffraction temperature: 130 ± 9 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: 0.0434
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No