Information card for entry 7041108

Structure parameters

• Formula: C50 H38 Cl2 N O2 P2 Ru
• Calculated formula: C50 H38 Cl2 N O2 P2 Ru
• SMILES: c12cccc3C(=O)c4ccccc4C(c13)=[O][Ru](Cl)(Cl)(N2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Arylamino radical complexes of ruthenium and osmium: dual radical counter in a molecule.
• Authors of publication: Bera, Sachinath; Maity, Suvendu; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 48
• Pages of publication: 19428 - 19440
• a: 9.6319 ± 0.0005 Å
• b: 17.1986 ± 0.0009 Å
• c: 25.4291 ± 0.0013 Å
• α: 90°
• β: 98.221 ± 0.002°
• γ: 90°
• Cell volume: 4169.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No