Information card for entry 4339871

Structure parameters

• Formula: C17 H35 Cl2 Co N O10 P3 Ru
• Calculated formula: C17 H35 Cl2 Co N O10 P3 Ru
• SMILES: [Ru]12(Cl)(Cl)(N=O)O[P]([Co]3456([P](OCC)(OCC)O1)([P](OCC)(OCC)O2)[cH]1[cH]3[cH]4[cH]5[cH]61)(OCC)OCC
• Title of publication: Electrophilic ruthenium(VI) nitrido complex containing Kläui's oxygen tripodal ligand.
• Authors of publication: Yi, Xiao-Yi; Lam, Tony C. H.; Sau, Yiu-Keung; Zhang, Qian-Feng; Williams, Ian D.; Leung, Wa-Hung
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 17
• Pages of publication: 7193 - 7198
• a: 9.118 ± 0.0007 Å
• b: 18.1771 ± 0.0014 Å
• c: 17.6941 ± 0.0014 Å
• α: 90°
• β: 91.041 ± 0.002°
• γ: 90°
• Cell volume: 2932.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No