Information card for entry 4335098

Structure parameters

• Chemical name: Tetrabutylammonium cis-tetrachlorido-nitrosyl-1H-pyrazole-osmate(III)
• Formula: C19 H40 Cl4 N4 O Os
• Calculated formula: C19 H40 Cl4 N4 O Os
• SMILES: [Os](Cl)(Cl)(Cl)(Cl)([n]1[nH]ccc1)N=O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Striking Difference in Antiproliferative Activity of Ruthenium- and Osmium-Nitrosyl Complexes with Azole Heterocycles
• Authors of publication: Gabriel E. Büchel; Anatolie Gavriluta; Maria Nowak; Samuel M. Meier; Michael A. Jakupec; Olesea Cuzan; Constantin Turta; Jean-Bernard Tommasino; Erwann Jeanneau; Ghenadie Novitchi; Dominique Luneau; Vladimir B. Arion
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6273 - 6285
• a: 11.452 ± 0.001 Å
• b: 13.445 ± 0.001 Å
• c: 17.167 ± 0.002 Å
• α: 90°
• β: 92.778 ± 0.009°
• γ: 90°
• Cell volume: 2640.1 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0351
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No