Information card for entry 4109182

Structure parameters

• Formula: C19 H20 Cl N O Os
• Calculated formula: C19 H20 Cl N O Os
• SMILES: [Os]123456(Cl)([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)[n]1cccc2c1c(ccc2)O6
• Title of publication: Tuning the Hydrolytic Aqueous Chemistry of Osmium Arene Complexes with N,O-Chelating Ligands to Achieve Cancer Cell Cytotoxicity
• Authors of publication: Anna F. A. Peacock; Simon Parsons; Peter J. Sadler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3348 - 3357
• a: 10.5949 ± 0.0003 Å
• b: 13.274 ± 0.0003 Å
• c: 12.2343 ± 0.0003 Å
• α: 90°
• β: 102.031 ± 0.001°
• γ: 90°
• Cell volume: 1682.8 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0244
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for all reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8769
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No