Information card for entry 7212602

Structure parameters

• Formula: C92 H88 F12 N6 O22 Ru4 S4
• Calculated formula: C92 H84 F12 N6 O22 Ru4 S4
• SMILES: [Ru]1234567(Oc8c(O1)cc1O[Ru]9%10%11%12%13([n]%14cccc%15c%16c([n]([Ru]%17%18%19%20%21%22(Oc%23c(O%17)cc%17O[Ru]%24%25%26%27%28(Oc%17c%23)([n]%17c%23ccc%29[n]2cccc%29c%23ccc%17)[cH]2[c]%25([cH]%27[cH]%24[c]%26([cH]%282)C(C)C)C)[cH]2[cH]%18[c]%21([cH]%19[cH]%22[c]%202C(C)C)C)ccc%16)ccc%14%15)(Oc1c8)[cH]1[c]9([cH]%12[cH]%11[c]%13([cH]%101)C(C)C)C)[c]1([cH]3[cH]7[c]5([cH]6[cH]41)C(C)C)C.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)(C(F)(F)F)[O-].O.c12ncccc1c1c(cc2)nccc1.O
• Title of publication: Molecular architecture of redox-active half-sandwich Ru(ii) cyclic assemblies. Interactions with biomolecules and anticancer activity
• Authors of publication: Linares, Fátima; Procopio, Elsa Quartapelle; Galindo, Miguel A.; Romero, M. Angustias; Navarro, Jorge A. R.; Barea, Elisa
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2343
• a: 12.424 ± 0.003 Å
• b: 27.645 ± 0.006 Å
• c: 14.359 ± 0.003 Å
• α: 90°
• β: 93.55 ± 0.03°
• γ: 90°
• Cell volume: 4922.3 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1387
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No