Information card for entry 7021159

Structure parameters

• Common name: tetrakis(2-hydroxymethylbenzimidazolium) dichloride hexachlororuthenate(IV) tetrahydrate
• Chemical name: tetrakis(2-hydroxymethylbenzimidazolium) dichloride hexachlororuthenate(IV) tetrahydrate
• Formula: C32 H40 Cl8 N8 O8 Ru
• Calculated formula: C32 H40 Cl8 N8 O8 Ru
• SMILES: c1([nH]c2ccccc2[nH+]1)CO.c1(CO)[nH]c2ccccc2[nH+]1.[Cl-].O.O.[Ru](Cl)(Cl)(Cl)(Cl)([Cl-])[Cl-].c1([nH]c2ccccc2[nH+]1)CO.c1(CO)[nH]c2ccccc2[nH+]1.[Cl-].O.O
• 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: 7.024 ± 0.005 Å
• b: 9.673 ± 0.005 Å
• c: 16.021 ± 0.005 Å
• α: 84.899 ± 0.005°
• β: 88.419 ± 0.005°
• γ: 86.979 ± 0.005°
• Cell volume: 1082.4 ± 1 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: 0.0679
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No