Information card for entry 1500020

Structure parameters

• Formula: C68 H76 F12 N4 O16 Ru4 S4
• Calculated formula: C68 H72 F12 N4 O16 Ru4 S4
• SMILES: [Ru]1234567([OH][Ru]89%10%11%12([OH]1)([c]1([cH]%12[cH]%11[c]%10([cH]9[cH]81)C)C(C)C)[n]1c8ccc9[n]([Ru]%10%11%12%13%14%15([OH][Ru]%16%17%18%19%20([OH]%10)([c]%10([cH]%16[cH]%17[c]%18(C)[cH]%19[cH]%20%10)C(C)C)[n]%10c%16ccc%17[n]7cccc%17c%16ccc%10)[c]7([cH]%11[cH]%12[c]%13(C)[cH]%14[cH]%157)C(C)C)cccc9c8ccc1)[c]1(C(C)C)[cH]2[cH]3[c]4(C)[cH]5[cH]61.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
• Title of publication: Cyclic tetranuclear half-sandwich ruthenium(II) complexes with 4,7-phenanthroline and hydroxo bridges: Crystal structure, solution behaviour and binding to nucleosides
• Authors of publication: Miguel A. Galindo; Miguel Quirós; M. Angustias Romero; Jorge A.R. Navarro
• Journal of publication: Journal of Inorganic Biochemistry
• Year of publication: 2008
• Journal volume: 102
• Pages of publication: 1025 - 1032
• a: 13.1234 ± 0.0006 Å
• b: 18.0169 ± 0.0009 Å
• c: 18.6161 ± 0.0009 Å
• α: 102.806 ± 0.001°
• β: 102.335 ± 0.001°
• γ: 107.799 ± 0.001°
• Cell volume: 3894.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.2636
• Weighted residual factors for all reflections included in the refinement: 0.2882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No