Information card for entry 4341247

Structure parameters

• Chemical name: Pyrazolium trans-tetrachlorido-bis(1H-pyrazole)osmate(III)
• Formula: C9 H13 Cl4 N6 Os
• Calculated formula: C9 H13 Cl4 N6 Os
• SMILES: [Os](Cl)(Cl)(Cl)(Cl)([n]1[nH]ccc1)[n]1[nH]ccc1.[nH]1[nH+]ccc1
• Title of publication: Osmium(III) Analogues of KP1019: Electrochemical and Chemical Synthesis, Spectroscopic Characterization, X-ray Crystallography, Hydrolytic Stability, and Antiproliferative Activity.
• Authors of publication: Kuhn, Paul-Steffen; Büchel, Gabriel E; Jovanović, Katarina K; Filipović, Lana; Radulović, Siniša; Rapta, Peter; Arion, Vladimir B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 20
• Pages of publication: 11130 - 11139
• a: 7.4126 ± 0.0004 Å
• b: 12.9016 ± 0.0006 Å
• c: 16.185 ± 0.0008 Å
• α: 90°
• β: 94.6356 ± 0.0017°
• γ: 90°
• Cell volume: 1542.78 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0144
• Residual factor for significantly intense reflections: 0.0132
• Weighted residual factors for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No