Information card for entry 1100806

Structure parameters

• Formula: C17.5 H31 Cl3 N3 O0.5 P Ru
• Calculated formula: C17.5 H31 Cl3 N3 O0.5 P Ru
• Title of publication: Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study
• Authors of publication: Dorcier, Antoine; Dyson, Paul J.; Gossens, Christian; Rothlisberger, Ursula; Scopelliti, Rosario; Tavernelli, Ivano
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 9
• Pages of publication: 2114 - 2123
• a: 13.432 ± 0.0013 Å
• b: 10.5988 ± 0.001 Å
• c: 16.2393 ± 0.0015 Å
• α: 90°
• β: 113.411 ± 0.009°
• γ: 90°
• Cell volume: 2121.6 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4060315
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No