Information card for entry 4307849

Structure parameters

• Formula: C30 H20 Cl F6 N4 Os P
• Calculated formula: C30 H20 Cl F6 N4 Os P
• SMILES: [Os]123456(Cl)([cH]7[c]5([cH]4[cH]3[cH]2[cH]17)c1ccccc1)[n]1cccc2c1c1[n]6cccc1c1c2nc2ccccc2n1.[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: 11.8153 ± 0.0012 Å
• b: 8.7125 ± 0.0009 Å
• c: 26.175 ± 0.003 Å
• α: 90°
• β: 102.952 ± 0.004°
• γ: 90°
• Cell volume: 2625.9 ± 0.5 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: 0.0428
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0562
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No