Information card for entry 7102675

Structure parameters

• Formula: C55 H51 F6 N2 O3 P3 Ru
• Calculated formula: C55 H51 F6 N2 O3 P3 Ru
• Title of publication: A nucleic acid base derivative tethered to a ruthenium carbene complex: hydrogen bonded dimers in both the solid state and solution?
• Authors of publication: Hamidov, Hayrullo; Jeffery, John C; Lynam, Jason M
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1364 - 1365
• a: 11.6179 ± 0.0017 Å
• b: 14.376 ± 0.002 Å
• c: 16.327 ± 0.002 Å
• α: 94.691 ± 0.003°
• β: 91.172 ± 0.003°
• γ: 112.93 ± 0.002°
• Cell volume: 2499 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0725
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No