Information card for entry 4060316

Structure parameters

• Formula: C18 H28 Cl8 N3 Os P
• Calculated formula: C18 H28 Cl8 N3 Os P
• SMILES: [Os]12345(Cl)(Cl)([P]67CN8CN(C6)CN(C7)C8)[c]6([cH]5[cH]4[c]3([cH]2[cH]16)C(C)C)C.ClC(Cl)Cl.ClC(Cl)Cl
• 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: 10.579 ± 0.002 Å
• b: 12.7402 ± 0.0009 Å
• c: 20.977 ± 0.004 Å
• α: 90°
• β: 101.171 ± 0.016°
• γ: 90°
• Cell volume: 2773.7 ± 0.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No