Information card for entry 4307845

Structure parameters

• Formula: C14 H18 Cl F6 N2 Os P
• Calculated formula: C14 H18 Cl F6 N2 Os P
• SMILES: [Os]123456(Cl)([c]7([cH]5[cH]4[cH]3[cH]2[cH]17)c1ccccc1)[NH2]CC[NH2]6.[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: 19.5853 ± 0.0008 Å
• b: 9.03 ± 0.0004 Å
• c: 23.2542 ± 0.0008 Å
• α: 90°
• β: 112.608 ± 0.002°
• γ: 90°
• Cell volume: 3796.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.0972
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 0.6814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No