Information card for entry 7017446

Structure parameters

• Formula: C16 H25 Cl3 N3 Ru S6
• Calculated formula: C16 H25 Cl3 N3 Ru S6
• SMILES: [Ru]123([S]=C(S1)N1CCCC1)([S]=C(S3)N1CCCC1)[S]=C(S2)N1CCCC1.ClC(Cl)Cl
• Title of publication: Promising anticancer mono- and dinuclear ruthenium(iii) dithiocarbamato complexes: systematic solution studies.
• Authors of publication: Nagy, Eszter Márta; Nardon, Chiara; Giovagnini, Lorena; Marchiò, Luciano; Trevisan, Andrea; Fregona, Dolores
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 44
• Pages of publication: 11885 - 11895
• a: 8.942 ± 0.002 Å
• b: 11.338 ± 0.002 Å
• c: 13.568 ± 0.003 Å
• α: 85.612 ± 0.003°
• β: 83.206 ± 0.003°
• γ: 71.499 ± 0.003°
• Cell volume: 1294.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0599
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No