Information card for entry 4307846

Structure parameters

• Formula: C14 H13 Cl2 N Os
• Calculated formula: C14 H13 Cl2 N Os
• SMILES: [Os]12345(Cl)(Cl)([N]#CC)[cH]6[cH]1[cH]2[cH]3[cH]4[c]56c1ccccc1
• Title of publication: Chloro Half-Sandwich Osmium(II) Complexes: Influence of Chelated N,N-Ligands on Hydrolysis, Guanine Binding, and Cytotoxicity
• Authors of publication: Anna F. A. Peacock; Abraha Habtemariam; Stephen A. Moggach; Alessandro Prescimone; Simon Parsons; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4049 - 4059
• a: 10.002 ± 0.0015 Å
• b: 7.009 ± 0.001 Å
• c: 19.717 ± 0.003 Å
• α: 90°
• β: 102.447 ± 0.002°
• γ: 90°
• Cell volume: 1349.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0434
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No