Information card for entry 7017445

Structure parameters

• Formula: C9 H18 N3 Ru S6
• Calculated formula: C9 H18 N3 Ru S6
• SMILES: [Ru]123([S]=C(S1)N(C)C)([S]=C(S2)N(C)C)[S]=C(S3)N(C)C
• 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: 10.255 ± 0.001 Å
• b: 17.542 ± 0.002 Å
• c: 20.379 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3666 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No