Information card for entry 4318881

Structure parameters

• Formula: C29 H27 F12 N7 P2 Ru
• Calculated formula: C29 H27 F12 N7 P2 Ru
• SMILES: [Ru]12([N]#CC)([n]3ccccc3)([n]3c(cccc3)c3[n]1cccc3)[n]1c(cccc1)c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 11.948 ± 0.002 Å
• b: 23.969 ± 0.003 Å
• c: 12.937 ± 0.002 Å
• α: 90°
• β: 112.14 ± 0.01°
• γ: 90°
• Cell volume: 3431.7 ± 0.9 ų
• Cell temperature: 296.2 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: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.2461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.382
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No