Information card for entry 4109181

Structure parameters

• Formula: C16 H18 Cl N O2 Os
• Calculated formula: C16 H18 Cl N O2 Os
• SMILES: [Os]123456(Cl)([c]7([cH]1[cH]2[c]3([cH]4[cH]57)C(C)C)C)[n]1ccccc1C(=O)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: 10.1041 ± 0.0007 Å
• b: 15.006 ± 0.0009 Å
• c: 10.2928 ± 0.0006 Å
• α: 90°
• β: 99.521 ± 0.003°
• γ: 90°
• Cell volume: 1539.12 ± 0.17 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: 0.0425
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for all reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7603
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No