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Information card for entry 7017845
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Coordinates | 7017845.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(mu-S-5-nitrofuryl-N-ethylthiosemicarbazonato)-bis(p- cymene)-di-ruthenium(ii) dihexafluorophosphate hydrate |
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Chemical name | bis(μ-S-5-nitrofuryl-N-ethylthiosemicarbazonato)-bis(p-cymene)-di- ruthenium(II) dihexafluorophosphate hydrate |
Formula | C36 H48 F12 N8 O7 P2 Ru2 S2 |
Calculated formula | C36 H48 F12 N8 O7 P2 Ru2 S2 |
SMILES | [Ru]1234567(S8=C(N[N]([Ru]9%10%11%12%138(S1=C(N[N]7=Cc1oc(cc1)N(=O)=O)NCC)[c]1([cH]9[cH]%10[c]%11(C)[cH]%13[cH]%121)C(C)C)=Cc1oc(N(=O)=O)cc1)NCC)[c]1([cH]3[cH]4[c]2([cH]6[cH]51)C(C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].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 | 21.639 ± 0.008 Å |
b | 11.066 ± 0.004 Å |
c | 21.408 ± 0.012 Å |
α | 90° |
β | 113.206 ± 0.004° |
γ | 90° |
Cell volume | 4712 ± 4 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 8 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.06 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.0738 |
Weighted residual factors for all reflections included in the refinement | 0.0798 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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