Information card for entry 1543044

Structure parameters

• Formula: C50 H39 Cl10 N7 O8 Ru
• Calculated formula: C50 H39 Cl10 N7 O8 Ru
• SMILES: [Ru]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[O-].c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[O-].C(#N)C.O.O.O.O.O.O
• Title of publication: Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method
• Authors of publication: Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 4016
• a: 16.7707 ± 0.0005 Å
• b: 12.8886 ± 0.0003 Å
• c: 24.1907 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5228.8 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No