Information card for entry 4318247

Structure parameters

• Chemical name: trans-tetrachloro-(imidazole)-nitrosyl-ruthenium(III) (imidazole-imidazolium)
• Formula: C9 H13 Cl4 N7 O Ru
• Calculated formula: C9 H13 Cl4 N7 O Ru
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)(N=O)[n]1cc[nH]c1.[nH]1cc[nH+]c1.n1c[nH]cc1
• Title of publication: Synthesis and Structural, Spectroscopic, and Electrochemical Characterization of New Ruthenium Dimethyl Sulfoxide Nitrosyls
• Authors of publication: Barbara Serli; Ennio Zangrando; Elisabetta Iengo; Giovanni Mestroni; Lesley Yellowlees; Enzo Alessio
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4033 - 4043
• a: 10.464 ± 0.003 Å
• b: 11.259 ± 0.004 Å
• c: 16.095 ± 0.004 Å
• α: 90°
• β: 108.57 ± 0.02°
• γ: 90°
• Cell volume: 1797.5 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No