Information card for entry 4325893

Structure parameters

• Chemical name: trans-tetrachlorido-bis(imidazole)osmium(IV) dimethylsulfoxide adduct
• Formula: C10 H20 Cl4 N4 O2 Os S2
• Calculated formula: C10 H20 Cl4 N4 O2 Os S2
• SMILES: c1c[nH]c[n]1[Os](Cl)(Cl)([n]1cc[nH]c1)(Cl)Cl.CS(C)=O.CS(C)=O
• Title of publication: En Route to Osmium Analogues of KP1019: Synthesis, Structure, Spectroscopic Properties and Antiproliferative Activity of trans-[OsIVCl4(Hazole)2]
• Authors of publication: Gabriel E. Büchel; Iryna N. Stepanenko; Michaela Hejl; Michael A. Jakupec; Bernhard K. Keppler; Vladimir B. Arion
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7690 - 7697
• a: 9.2546 ± 0.0003 Å
• b: 14.6087 ± 0.0005 Å
• c: 7.6323 ± 0.0003 Å
• α: 90°
• β: 99.294 ± 0.002°
• γ: 90°
• Cell volume: 1018.32 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0288
• Residual factor for significantly intense reflections: 0.0205
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No