Information card for entry 1551589

Structure parameters

• Formula: C28 H26 Cl N6 O3.5 Ru
• Calculated formula: C28 H26 Cl N6 O3.5 Ru
• SMILES: [Ru]123(OC(=O)c4[n]3cccc4)([n]3c(cccc3)c3[n]1cccc3)[n]1c(cccc1)c1[n]2cccc1.[Cl-].O.O.N#CC
• Title of publication: Crystal Structure of (2-Picolinato)bis(2,2′-bipyridine)ruthenium(II) Chloride
• Authors of publication: TOYAMA, Mari; NAKAYASU, Toshifumi; NAGAO, Noriharu
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 11
• a: 15.4085 ± 0.00014 Å
• b: 13.0737 ± 0.00014 Å
• c: 27.383 ± 0.0003 Å
• α: 90°
• β: 98.0922 ± 0.0009°
• γ: 90°
• Cell volume: 5461.27 ± 0.1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No