Information card for entry 7017844

Structure parameters

• Common name: bis(u-S-5-nitrofurylthiosemicarbazonato)-bis(p-cymene)-di- ruthenium(ii) dichloride heptahydrate
• Chemical name: bis(u-S-5-nitrofurylthiosemicarbazonato)-bis(p-cymene)-di-ruthenium(II) dichloride heptahydrate
• Formula: C32 H38 Cl2 N8 O13.5 Ru2 S2
• Calculated formula: C32 H38 Cl2 N8 O13.5 Ru2 S2
• SMILES: [Ru]1234567([S](C(=N[N]2=Cc2oc(N(=O)=O)cc2)N)[Ru]289%10%11%12([S]1C(=N[N]2=Cc1oc(N(=O)=O)cc1)N)[c]1([cH]8[cH]9[c]%10([cH]%11[cH]%121)C)C(C)C)[cH]1[c]7([cH]6[cH]5[c]4([cH]31)C(C)C)C.[Cl-].[Cl-].O.O.O.O.O.O.O.O
• Title of publication: New organoruthenium complexes with bioactive thiosemicarbazones as co-ligands: potential anti-trypanosomal agents.
• Authors of publication: Demoro, Bruno; Sarniguet, Cynthia; Sánchez-Delgado, Roberto; Rossi, Miriam; Liebowitz, Daniel; Caruso, Francesco; Olea-Azar, Claudio; Moreno, Virtudes; Medeiros, Andrea; Comini, Marcelo A.; Otero, Lucía; Gambino, Dinorah
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1534 - 1543
• a: 19.809 ± 0.007 Å
• b: 25.12 ± 0.008 Å
• c: 19.115 ± 0.006 Å
• α: 90°
• β: 108.286 ± 0.004°
• γ: 90°
• Cell volume: 9031 ± 5 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 7
• 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: 0.0842
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No