Information card for entry 7041556

Structure parameters

• Formula: C22 H44 Co F6 N3 O18 P3 Ru S2
• Calculated formula: C22 H44 Co F6 N3 O18 P3 Ru S2
• SMILES: [Ru]12([O]=CN(C)C)([O]=CN(C)C)(O[P]([Co]3456([P](O1)(OC)OC)([P](O2)(OC)OC)[cH]1[cH]3[cH]6[cH]4[cH]51)(OC)OC)[O]=CN(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.
• Authors of publication: Krishnan, V. Mahesh; Arman, Hadi D.; Tonzetich, Zachary J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 4
• Pages of publication: 1186 - 1193
• a: 20.084 ± 0.003 Å
• b: 12.6011 ± 0.0017 Å
• c: 16.863 ± 0.002 Å
• α: 90°
• β: 93.902 ± 0.002°
• γ: 90°
• Cell volume: 4257.8 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 9
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No