Information card for entry 4335095

Structure parameters

• Chemical name: Indazolium trans-(tetrachlorido-1-H-indazole-nitrosyl-ruthenate(III)) chloroform solvate
• Formula: C15 H14 Cl7 N5 O Ru
• Calculated formula: C15 H14 Cl7 N5 O Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([n]1[nH]c2c(c1)cccc2)N=O.[nH]1[nH+]c2c(c1)cccc2.C(Cl)(Cl)Cl
• 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: 7.249 ± 0.0007 Å
• b: 11.4371 ± 0.0013 Å
• c: 14.1067 ± 0.0018 Å
• α: 68.991 ± 0.005°
• β: 89.138 ± 0.005°
• γ: 88.127 ± 0.004°
• Cell volume: 1091.2 ± 0.2 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: 0.0536
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No