Information card for entry 7021158

Structure parameters

• Common name: mer-(acetonitrile)(trichloro)(2,2'- pyrydylbenzimidazole)ruthenium(iii) 2,2'-pirydylbenzimidazole solvate trihydrate
• Chemical name: mer-(acetonitrile)(trichloro)(2,2'-pyrydylbenzimidazole)ruthenium(III) 2,2'-pirydylbenzimidazole solvate trihydrate
• Formula: C26 H21 Cl3 N7 O3 Ru
• Calculated formula: C26 H21 Cl3 N7 O3 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)([n]2c([nH]c3c2cccc3)c2[n]1cccc2)[N]#CC.c1([nH]c2c(n1)cccc2)c1ncccc1.O.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: 35.613 ± 0.0011 Å
• b: 14.35 ± 0.0004 Å
• c: 13.745 ± 0.0004 Å
• α: 90°
• β: 111.207 ± 0.002°
• γ: 90°
• Cell volume: 6548.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No