Information card for entry 4335079

Structure parameters

• Chemical name: Tetrabutylammonium cis-[tetrachlorido-1H-indazole-nitrosyl-ruthenate]
• Formula: C23 H42 Cl4 N4 O Ru
• Calculated formula: C23 H42 Cl3.99333 N3.99667 O0.996667 Ru
• Title of publication: Mechanism Elucidation of the cis-trans Isomerization of an Azole Ruthenium-Nitrosyl Complex and Its Osmium Counterpart
• Authors of publication: Anatolie Gavriluta; Gabriel E. Büchel; Leon Freitag; Ghenadie Novitchi; Jean Bernard Tommasino; Erwann Jeanneau; Paul-Steffen Kuhn; Leticia González; Vladimir B. Arion; Dominique Luneau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6260 - 6272
• a: 12.4091 ± 0.0004 Å
• b: 52.572 ± 0.0015 Å
• c: 13.7339 ± 0.0004 Å
• α: 90°
• β: 100.733 ± 0.001°
• γ: 90°
• Cell volume: 8802.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No