Information card for entry 4344066

Structure parameters

• Common name: Ru2(chp)4(MeCN).93(Cl).7*MeCN
• Formula: C23.87 H17.8 Cl4.07 N5.93 O4 Ru2
• Calculated formula: C23.87 H17.805 Cl4.066 N5.935 O4 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: 9.404 ± 0.003 Å
• b: 9.486 ± 0.003 Å
• c: 16.4 ± 0.004 Å
• α: 74.106 ± 0.009°
• β: 86.577 ± 0.016°
• γ: 78.911 ± 0.009°
• Cell volume: 1380.7 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No