Information card for entry 7020769

Structure parameters

• Formula: C34 H36 Cl13 N5 O Ru
• Calculated formula: C34 H36 Cl13 N5 O Ru
• SMILES: [Ru]12345(Cl)(Cl)([n]6cn(cc6)CCCNC(=O)c6nn(c7c6cccc7)Cc6ccc(Cl)cc6Cl)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C(C)C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Organometallic anticancer agents that interfere with cellular energy processes: a subtle approach to inducing cancer cell death.
• Authors of publication: Nazarov, Alexey A.; Gardini, Daniel; Baquié, Mathurin; Juillerat-Jeanneret, Lucienne; Serkova, Tatiana P.; Shevtsova, Elena P.; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2347 - 2350
• a: 17.468 ± 0.0009 Å
• b: 20.4319 ± 0.0015 Å
• c: 21.6099 ± 0.0016 Å
• α: 90.501 ± 0.008°
• β: 105.712 ± 0.008°
• γ: 112.689 ± 0.009°
• Cell volume: 6794.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1202
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No