Information card for entry 7041557

Structure parameters

• Formula: C21 H29 Co N O12 P3 Ru
• Calculated formula: C21 H29 Co N O12 P3 Ru
• SMILES: [Ru]123(O[P]([Co]4567([P](O3)(OC)OC)([P](O1)(OC)OC)[cH]1[cH]5[cH]4[cH]7[cH]61)(OC)OC)(Oc1c(O2)cc2c(c1)cccc2)N=O
• 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: 10.4496 ± 0.0016 Å
• b: 11.5244 ± 0.0017 Å
• c: 22.855 ± 0.004 Å
• α: 90°
• β: 97.413 ± 0.003°
• γ: 90°
• Cell volume: 2729.3 ± 0.8 ų
• Cell temperature: 98 K
• Ambient diffraction temperature: 98 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No