Information card for entry 4344064

Structure parameters

• Common name: Ru2(chp)4(PPh3)0.5toluene
• Formula: C41.5 H31 Cl4 N4 O4 P Ru2
• Calculated formula: C41.5 H31 Cl4 N4 O4 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: 9.314 ± 0.002 Å
• b: 9.601 ± 0.003 Å
• c: 22.177 ± 0.006 Å
• α: 82.934 ± 0.009°
• β: 79.593 ± 0.013°
• γ: 87.23 ± 0.007°
• Cell volume: 1935 ± 0.9 ų
• Cell temperature: 100 ± 0.01 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No