Information card for entry 4128949

Structure parameters

• Formula: C64 H44 F24 N14 P4 Ru2
• Calculated formula: C64 H44 F24 N14 P4 Ru2
• SMILES: [Ru]123([n]4cccc5c4c4[n]1cccc4c1nc4c(nc51)c1ccc[n]5[Ru]67([n]8c(c15)c4ccc8)([n]1ccccc1c1[n]6cccc1)[n]1ccccc1c1[n]7cccc1)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Structural Investigation into the Threading Intercalation of a Chiral Dinuclear Ruthenium(II) Polypyridyl Complex through a B-DNA Oligonucleotide.
• Authors of publication: Fairbanks, Simon D.; Robertson, Craig C.; Keene, F. Richard; Thomas, Jim A.; Williamson, Mike P.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 11
• Pages of publication: 4644 - 4652
• a: 12.5327 ± 0.0014 Å
• b: 16.3645 ± 0.0019 Å
• c: 21.809 ± 0.003 Å
• α: 90°
• β: 97.129 ± 0.005°
• γ: 90°
• Cell volume: 4438.3 ± 0.9 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1158
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1894
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No