Information card for entry 4335100

Structure parameters

• Chemical name: Benzimidazolium cis-tetrachlorido-benzimidazole-nitrosyl-ruthenate(III)
• Formula: C14 H13 Cl4 N5 O Ru
• Calculated formula: C14 H13 Cl4 N5 O Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([n]1c[nH]c2c1cccc2)N=O.[nH]1c[nH+]c2c1cccc2
• 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: 7.0814 ± 0.0004 Å
• b: 15.7409 ± 0.0008 Å
• c: 16.9995 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894.89 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No