Information card for entry 7036554

Structure parameters

• Chemical name: (η6-p-cymene)(2-(((2-((7-chloroquinolin-4-yl)amino)ethyl)imino)methyl)-4-methoxy-phenol))chloroosmium(II)
• Formula: C29 H31 Cl2 N3 O2 Os
• Calculated formula: C29 H31 Cl2 N3 O2 Os
• SMILES: [Os]123456(Oc7c(C=[N]1CCNc1ccnc8cc(Cl)ccc18)cc(OC)cc7)(Cl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C
• Title of publication: Antimalarial activity of ruthenium(ii) and osmium(ii) arene complexes with mono- and bidentate chloroquine analogue ligands.
• Authors of publication: Ekengard, Erik; Glans, Lotta; Cassells, Irwin; Fogeron, Thibault; Govender, Preshendren; Stringer, Tameryn; Chellan, Prinessa; Lisensky, George C.; Hersh, William H.; Doverbratt, Isa; Lidin, Sven; de Kock, Carmen; Smith, Peter J.; Smith, Gregory S.; Nordlander, Ebbe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 44
• Pages of publication: 19314 - 19329
• a: 8.9203 ± 0.0002 Å
• b: 15.7392 ± 0.0004 Å
• c: 19.7232 ± 0.0004 Å
• α: 90°
• β: 99.676 ± 0.002°
• γ: 90°
• Cell volume: 2729.71 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0458
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.51
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No