Information card for entry 7703538

Structure parameters

• Formula: C37 H33 Cl2 N2 O2 P Ru S
• Calculated formula: C37 H33 Cl2 N2 O2 P Ru S
• SMILES: c12N[Ru]3(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([S](c4c(N3c2cccc1OC)cccc4)c1ccccc1)Cl.O
• Title of publication: Metal promoted conversion of aromatic amines to ortho-phenylenediimine derivatives by a radical coupling path.
• Authors of publication: Dutta, Debarpan; Kundu, Suman; Weyhermüller, Thomas; Ghosh, Prasanta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5015 - 5019
• a: 10.7982 ± 0.0006 Å
• b: 11.8469 ± 0.0007 Å
• c: 14.571 ± 0.0008 Å
• α: 83.92 ± 0.003°
• β: 83.224 ± 0.003°
• γ: 68.376 ± 0.003°
• Cell volume: 1716.77 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No