Information card for entry 4326965

Structure parameters

• Formula: C40 H47 Cl6 F6 N6 Ru S Sb
• Calculated formula: C40 H47 Cl6 F6 N6 Ru S Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Ru]123([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)([n]1ccc(C(C)(C)C)cc1c1[n]3ccc(c1)C(C)(C)C)N=C=S.ClCCCl.ClCCCl.ClCCCl
• Title of publication: Thiocyanate Linkage Isomerism in a Ruthenium Polypyridyl Complex
• Authors of publication: Timothy P. Brewster; Wendu Ding; Nathan D. Schley; Nilay Hazari; Victor S. Batista; Robert H. Crabtree
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11938 - 11946
• a: 9.03868 ± 0.00017 Å
• b: 14.3405 ± 0.0003 Å
• c: 19.7694 ± 0.0014 Å
• α: 109.298 ± 0.008°
• β: 94.668 ± 0.007°
• γ: 98.865 ± 0.007°
• Cell volume: 2365.4 ± 0.2 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No