Information card for entry 7106326

Structure parameters

• Formula: C154 H136 F18 N6 O31 Ru6 S6
• Calculated formula: C154 H136 F18 N6 O31 Ru6 S6
• SMILES: [Ru]1234567([c]8([cH]4[cH]6[c]7([cH]5[cH]38)C(C)C)C)Oc3ccc4O[Ru]56789([c]%10([cH]5[cH]6[c]7([cH]8[cH]9%10)C(C)C)C)(Oc5c4c3c(O1)cc5)[n]1ccc(cc1)C#Cc1cc3C#Cc4cc[n](cc4)[Ru]456789([c]%10([cH]5[cH]6[c]7([cH]8[cH]9%10)C(C)C)C)Oc5ccc6O[Ru]789%10%11([c]%12([cH]7[cH]8[c]9([cH]%10[cH]%11%12)C(C)C)C)(Oc7c6c5c(O4)cc7)[n]4ccc(cc4)C#Cc4cc(cc(C#Cc5cc[n]2cc5)c4)C#Cc2cc[n](cc2)[Ru]245678([c]9([cH]4[cH]5[c]6([cH]7[cH]89)C(C)C)C)Oc4ccc5O[Ru]6789%10([c]%11([cH]6[cH]7[c]9([cH]8[cH]%10%11)C(C)C)C)(Oc6c5c4c(O2)cc6)[n]2ccc(cc2)C#Cc(c1)c3.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC
• Title of publication: Hexanuclear self-assembled arene-ruthenium nano-prismatic cages: potential anticancer agents
• Authors of publication: Vaishali Vajpayee; Yoon Jung Yang; Se Chan Kang; Hyunuk Kim; In Su Kim; Ming Wang; Peter J. Stang; Ki-Whan Chi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5184
• a: 14.548 ± 0.003 Å
• b: 34.324 ± 0.007 Å
• c: 34.518 ± 0.007 Å
• α: 90°
• β: 99.43 ± 0.03°
• γ: 90°
• Cell volume: 17003 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1637
• Residual factor for significantly intense reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.342
• Weighted residual factors for all reflections included in the refinement: 0.3731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation wavelength: 0.9 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No