Information card for entry 1500021

Structure parameters

• Formula: C64 H84 N8 O20 Ru4
• Calculated formula: C64 H72 N8 O20 Ru4
• SMILES: [Ru]1234567([OH][Ru]89%10%11%12([OH]1)([c]1([cH]8[cH]9[c]%10([cH]%11[cH]%121)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]%20[cH]%19[c]%18([cH]%17[cH]%16%10)C)C(C)C)[n]%10c%16ccc%17[n]7cccc%17c%16ccc%10)[c]7([cH]%15[cH]%14[c]%13([cH]%12[cH]%117)C)C(C)C)cccc9c8ccc1)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C)C(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O
• 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: 32.9293 ± 0.0014 Å
• b: 20.2105 ± 0.0009 Å
• c: 22.498 ± 0.0009 Å
• α: 90°
• β: 105.708 ± 0.001°
• γ: 90°
• Cell volume: 14413.6 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.234
• Weighted residual factors for all reflections included in the refinement: 0.2589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No