Information card for entry 4072336

Structure parameters

• Chemical name: (quinolin-8-olato-kappaN^1^,kappaO^8^)-(1,2,2,3,4,5,6-hapto)-1-isopropyl- 4-methylbenzene-9-methyladenine-kappa-N^7^)osmium(II)-hexafluorophosphate
• Formula: C25 H27 F6 N6 O Os P
• Calculated formula: C25 H27 F6 N6 O Os P
• SMILES: [Os]123456(Oc7cccc8ccc[n]1c78)([n]1c7c(ncnc7N)n(c1)C)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity
• Authors of publication: Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6587
• a: 17.261 ± 0.004 Å
• b: 10.044 ± 0.002 Å
• c: 16.238 ± 0.003 Å
• α: 90°
• β: 103.9 ± 0.03°
• γ: 90°
• Cell volume: 2732.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0416
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No