Information card for entry 4072332

Structure parameters

• Chemical name: (quinolin-8-olato-kappaN^1^,kappaO^8^)(1H-indazol-1-ide-kappaN^2^) (1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene-osmium(II) trimethanol solvate
• Formula: C29 H37 N3 O4 Os
• Calculated formula: C29 H37 N3 O4 Os
• SMILES: [Os]123456(Oc7cccc8ccc[n]1c78)(n1nc7c(c1)cccc7)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.OC.OC.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: 10.441 ± 0.0005 Å
• b: 11.3821 ± 0.0005 Å
• c: 13.4172 ± 0.0007 Å
• α: 90.499 ± 0.003°
• β: 108.143 ± 0.002°
• γ: 112.641 ± 0.002°
• Cell volume: 1383.35 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0139
• Residual factor for significantly intense reflections: 0.0123
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No