Information card for entry 4128950

Structure parameters

• Formula: C64 H44 Cl4 N14 Ru2
• Calculated formula: C64 H44 Cl4 N14 Ru2
• 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: 8.3032 ± 0.0016 Å
• b: 11.378 ± 0.002 Å
• c: 18.25 ± 0.004 Å
• α: 95.542 ± 0.007°
• β: 92.729 ± 0.007°
• γ: 95.095 ± 0.007°
• Cell volume: 1706.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No