Information card for entry 4335099

Structure parameters

• Chemical name: [Pyrazolium trans-(tetrachlorido-nitrosyl-1H-pyrazole-ruthenate(III))]
• Formula: C6 H9 Cl4 N5 O Ru
• Calculated formula: C6 H9 Cl4 N5 O Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([n]1[nH]ccc1)N=O.[nH]1[nH+]ccc1
• 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: 7.2264 ± 0.0002 Å
• b: 11.2833 ± 0.0004 Å
• c: 17.5497 ± 0.0006 Å
• α: 77.815 ± 0.002°
• β: 87.994 ± 0.002°
• γ: 77.155 ± 0.002°
• Cell volume: 1363.61 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No