Information card for entry 4318882

Structure parameters

• Formula: C44 H41 F30 N12 O4 P5 Ru2
• Calculated formula: C44 H41 F30 N12 O4 P5 Ru2
• SMILES: [Ru]12(N=O)([NH]=C(O)C)([n]3c(cccc3)c3[n]1cccc3)[n]1c(cccc1)c1[n]2cccc1.[Ru]12(N=O)(NC(=O)C)([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-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• 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: 15.9659 ± 0.0005 Å
• b: 31.839 ± 0.001 Å
• c: 11.7065 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5950.9 ± 0.3 ų
• Cell temperature: 133.2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No