Information card for entry 7021157

Structure parameters

• Common name: bis(2,2'-pirydyliumbenzimidazolium)dichloride bis((bisacetonitrile) tetrachlororuthenate(iii)) (bisacetonitrile)tetrachlororythenium(IV) hexahydrate
• Chemical name: bis(2,2'-pirydyliumbenzimidazolium)dichloride bis[(bisacetonitrile) tetrachlororuthenate(III)] (bisacetonitrile)tetrachlororythenium(IV) hexahydrate
• Formula: C36 H40 Cl14 N12 O6 Ru3
• Calculated formula: C36 H40 Cl14 N12 O6 Ru3
• SMILES: c1([nH]c2ccccc2[nH+]1)c1cccc[nH+]1.[N](#CC)[Ru](Cl)(Cl)([N]#CC)(Cl)Cl.[N](#CC)[Ru](Cl)([N]#CC)(Cl)(Cl)Cl.O.O.O.[Cl-].c1([nH]c2ccccc2[nH+]1)c1cccc[nH+]1.[N](#CC)[Ru]([N]#CC)(Cl)(Cl)(Cl)Cl.O.O.O.[Cl-]
• Title of publication: Ruthenium complexes in different oxidation states: synthesis, crystal structure, spectra and redox properties.
• Authors of publication: Jabłońska-Wawrzycka, Agnieszka; Rogala, Patrycja; Michałkiewicz, Sławomir; Hodorowicz, Maciej; Barszcz, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 17
• Pages of publication: 6092 - 6101
• a: 8.157 ± 0.005 Å
• b: 9.634 ± 0.005 Å
• c: 19.943 ± 0.005 Å
• α: 78.397 ± 0.005°
• β: 78.995 ± 0.005°
• γ: 82.639 ± 0.005°
• Cell volume: 1500.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No