Information card for entry 4325892

Structure parameters

• Chemical name: trans-tetrachlorido-bis(1H-pyrazole)osmium(IV)
• Formula: C6 H8 Cl4 N4 Os
• Calculated formula: C6 H8 Cl4 N4 Os
• SMILES: c1[n]([nH]cc1)[Os](Cl)(Cl)([n]1ccc[nH]1)(Cl)Cl
• 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: 6.511 ± 0.0004 Å
• b: 7.1695 ± 0.0005 Å
• c: 7.4983 ± 0.0005 Å
• α: 115.562 ± 0.005°
• β: 110.932 ± 0.004°
• γ: 92.719 ± 0.004°
• Cell volume: 286.36 ± 0.04 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: 0.0243
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No