Information card for entry 4069695

Structure parameters

• Formula: C102 H124 Cl4 F12 N4 O24 Ru4 S4
• Calculated formula: C102 H124 Cl4 F12 N4 O24 Ru4 S4
• SMILES: c12c3c(c4c(c1Cl)O[Ru]15678([n]9ccc(cc9)/C=C/c9cc[n](cc9)[Ru]9%10%11%12%13%14(Oc%15c(c(c%16c(c%15Cl)O[Ru]%15%17%18%19%20([n]%21ccc(cc%21)/C=C/c%21cc[n](cc%21)[Ru]%21%22%23%24%25(O2)(O3)[c]2([c]%25([c]%24([c]%23([c]%22([c]%212C)C)C)C)C)C)(O%16)[c]2([c]%15([c]%17([c]%18([c]%19([c]%202C)C)C)C)C)C)Cl)O9)[c]2([c]%14([c]%13([c]%12([c]%11([c]%102C)C)C)C)C)C)(O4)[c]2([c]8([c]7([c]6([c]5([c]12C)C)C)C)C)C)Cl.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CC(=O)C.CCOCC.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].CC(=O)C.CCOCC
• Title of publication: Synthesis, Molecular Structure, and Anticancer Activity of Cationic Arene Ruthenium Metallarectangles
• Authors of publication: Mattsson, Johan; Govindaswamy, Padavattan; Renfrew, Anna K.; Dyson, Paul J.; Štěpnička, Petr; Süss-Fink, Georg; Therrien, Bruno
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4350
• a: 13.9532 ± 0.0007 Å
• b: 15.4561 ± 0.0008 Å
• c: 15.8403 ± 0.0009 Å
• α: 66.311 ± 0.004°
• β: 64.864 ± 0.004°
• γ: 76.075 ± 0.004°
• Cell volume: 2822 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No