Information card for entry 4307851

Structure parameters

• Formula: C16 H22 B Cl F4 N2 Os
• Calculated formula: C16 H22 B Cl F4 N2 Os
• SMILES: [Os]123456(Cl)([NH2]CC[NH2]1)[cH]1[cH]2[cH]4[cH]6[c]25[c]31CC1=C(C2)CC=CC1.[B](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: 12.722 ± 0.003 Å
• b: 7.9298 ± 0.0016 Å
• c: 18.142 ± 0.004 Å
• α: 90°
• β: 105.28 ± 0.03°
• γ: 90°
• Cell volume: 1765.5 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9498
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No