Information card for entry 7023757

Structure parameters

• Formula: C34 H44 Cl2 Rh2 S2
• Calculated formula: C34 H44 Cl2 Rh2 S2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(Cl)[S](Cc2ccccc2)[Rh]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)(Cl)[S]1Cc1ccccc1)C)C)C)C
• Title of publication: Synthesis, molecular structure, computational study and in vitro anticancer activity of dinuclear thiolato-bridged pentamethylcyclopentadienyl Rh(iii) and Ir(iii) complexes.
• Authors of publication: Gupta, Gajendra; Garci, Amine; Murray, Benjamin S.; Dyson, Paul J.; Fabre, Gabin; Trouillas, Patrick; Giannini, Federico; Furrer, Julien; Süss-Fink, Georg; Therrien, Bruno
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15457 - 15463
• a: 8.7743 ± 0.0007 Å
• b: 14.8192 ± 0.0013 Å
• c: 13.3856 ± 0.0012 Å
• α: 90°
• β: 91.358 ± 0.01°
• γ: 90°
• Cell volume: 1740 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No