Information card for entry 7700853

Structure parameters

• Formula: C51 H47 Cl N2 O5.5 P2 Ru
• Calculated formula: C51 H47 Cl N2 O5.5 P2 Ru
• Title of publication: Unusual C-O bond cleavage of aromatic ethers in ruthenium complexes bearing a 2-alkoxypyridyl fragment.
• Authors of publication: Deng, Danfeng; Hu, Bowen; Yang, Min; Chen, Dafa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 36
• Pages of publication: 13614 - 13621
• a: 11.7433 ± 0.0006 Å
• b: 19.452 ± 0.0009 Å
• c: 21.6447 ± 0.0011 Å
• α: 72.075 ± 0.002°
• β: 79.871 ± 0.002°
• γ: 89.554 ± 0.002°
• Cell volume: 4625.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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: 0.0977
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No