Information card for entry 4318880

Structure parameters

• Formula: C25 H29 Cl3 N8 O18 Ru
• Calculated formula: C25 H29 Cl3 N8 O18 Ru
• SMILES: [Ru]12(N=O)([NH]=C(OC)C)([n]3c(cccc3)c3[n]1cccc3)[n]1c(cccc1)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O=N(=O)C.O=N(=O)C
• Title of publication: Reactions of Acetonitrile Coordinated to a Nitrosylruthenium Complex with H2O or CH3OH under Mild Conditions: Structural Characterization of Imido-Type Complexes
• Authors of publication: Hirotaka Nagao; Toshiyuki Hirano; Naotoshi Tsuboya; Soni Shiota; Masao Mukaida; Takao Oi; Mikio Yamasaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6267 - 6273
• a: 13.129 ± 0.001 Å
• b: 17.053 ± 0.001 Å
• c: 15.711 ± 0.001 Å
• α: 90°
• β: 90.876 ± 0.005°
• γ: 90°
• Cell volume: 3517.1 ± 0.4 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No