Information card for entry 4344065

Structure parameters

• Formula: C25 H17 Cl4 N5 O4 Ru2
• Calculated formula: C25 H17 Cl4 N5 O4 Ru2
• SMILES: c12cccc([n]1[Ru]134[n]5c(cccc5Cl)O[Ru]1(O2)([n]1ccccc1)(Oc1cccc([n]31)Cl)Oc1cccc([n]41)Cl)Cl
• Title of publication: Electronic Structure of Ru2(II,II) Oxypyridinates: Synthetic, Structural, and Theoretical Insights into Axial Ligand Binding.
• Authors of publication: Brown, Tristan R.; Dolinar, Brian S.; Hillard, Elizabeth A.; Clérac, Rodolphe; Berry, John F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8571 - 8589
• a: 16.5485 ± 0.0005 Å
• b: 12.1926 ± 0.0004 Å
• c: 13.7919 ± 0.0004 Å
• α: 90°
• β: 107.84 ± 0.001°
• γ: 90°
• Cell volume: 2648.97 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0231
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No