Information card for entry 4307850

Structure parameters

• Formula: C22 H22 Cl F6 N2 Os P
• Calculated formula: C22 H22 Cl F6 N2 Os P
• SMILES: c1c2ccc[n]3c2c2[n](cccc2c1)[Os]124563([c]3([cH]1[cH]2[c]4([cH]5[cH]63)C(C)C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
• 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: 12.7769 ± 0.0003 Å
• b: 13.3958 ± 0.0002 Å
• c: 26.6395 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4559.53 ± 0.16 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for all reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 0.599
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No