Information card for entry 4344063

Structure parameters

• Chemical name: Ru2(chp)4(PPh3)*THF
• Formula: C42 H35 Cl4 N4 O5 P Ru2
• Calculated formula: C42 H35 Cl4 N4 O5 P Ru2
• 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: 9.5005 ± 0.0014 Å
• b: 32.007 ± 0.003 Å
• c: 13.4954 ± 0.0011 Å
• α: 90°
• β: 99.49 ± 0.005°
• γ: 90°
• Cell volume: 4047.6 ± 0.8 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No