Information card for entry 4344067

Structure parameters

• Common name: [Ru2(chp)4]2(ZnCl2)*1.33(CH2Cl2)
• Formula: C41.33 H26.66 Cl12.66 N8 O8 Ru4 Zn
• Calculated formula: C41.331 H26.662 Cl12.662 N8 O8 Ru4 Zn
• 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: 14.665 ± 0.016 Å
• b: 22.8 ± 0.02 Å
• c: 18.894 ± 0.018 Å
• α: 90°
• β: 103.8 ± 0.03°
• γ: 90°
• Cell volume: 6135 ± 10 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0934
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No