Information card for entry 4074011

Structure parameters

• Chemical name: (hapto^6^-p-Cymene)[N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin- kappaN-6-yl)-N'-kappaN-(2-hydroxybenzylidene)azine]chloroosmium(II) chloride ethanol solvate
• Formula: C35 H37 Br Cl2 N4 O2 Os
• Calculated formula: C35 H37 Br Cl2 N4 O2 Os
• SMILES: [Os]123456([N](NC7=[N]1c1c(c8[nH]c9ccc(Br)cc9c8C7)cccc1)=Cc1ccccc1O)(Cl)[c]1([cH]6[cH]5[c]4([cH]3[cH]21)C(C)C)C.Cl.OCC
• Title of publication: Highly Antiproliferative Ruthenium(II) and Osmium(II) Arene Complexes with Paullone-Derived Ligands
• Authors of publication: Schmid, Wolfgang F.; John, Roland O.; Arion, Vladimir B.; Jakupec, Michael A.; Keppler, Bernhard K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 26
• Pages of publication: 6643
• a: 11.092 ± 0.001 Å
• b: 11.1604 ± 0.0008 Å
• c: 13.9373 ± 0.0011 Å
• α: 90°
• β: 90.296 ± 0.006°
• γ: 90°
• Cell volume: 1725.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No