Information card for entry 4303626

Structure parameters

• Chemical name: tetrabutylammonium-pentachloridotriazoleosmate(IV) ethanol solvate
• Formula: C20 H45 Cl5 N4 O Os
• Calculated formula: C20 H45 Cl5 N4 O Os
• SMILES: [Os](Cl)(Cl)(Cl)(Cl)(Cl)[n]1nc[nH]c1.[N+](CCCC)(CCCC)(CCCC)CCCC.OCC
• Title of publication: [OsIVCl5(Hazole)]- Complexes: Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity
• Authors of publication: Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Vladimir B. Arion; Bernhard K. Keppler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10737 - 10747
• a: 9.6679 ± 0.0003 Å
• b: 10.4061 ± 0.0003 Å
• c: 15.1487 ± 0.0006 Å
• α: 98.195 ± 0.002°
• β: 103.674 ± 0.002°
• γ: 90.02 ± 0.001°
• Cell volume: 1464.8 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No