Information card for entry 4072335

Structure parameters

• Chemical name: (1H-benzimidazole-kappaN^3^)(quinolin-8-olato-kappaN^1^, kappaO^8^)(1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene- osmium(II) hexafluorosulfate dimethanol solvate solvate
• Formula: C28 H34 F6 N3 O3 Os P
• Calculated formula: C28 H34 F6 N3 O3 Os P
• SMILES: [Os]123456(Oc7cccc8ccc[n]1c78)([n]1c[nH]c7ccccc17)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.OC.[P](F)(F)(F)(F)(F)[F-].OC
• 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: 9.2497 ± 0.0018 Å
• b: 10.955 ± 0.002 Å
• c: 14.715 ± 0.003 Å
• α: 77.78 ± 0.03°
• β: 87.82 ± 0.03°
• γ: 83.83 ± 0.03°
• Cell volume: 1448.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No