Information card for entry 7219256

Structure parameters

• Formula: C41 H36 Cl N3 O P2 Ru S
• Calculated formula: C41 H36 Cl N3 O P2 Ru S
• Title of publication: Ruthenium(II) Complexes Containing Phosphine-Functionalized Thiosemicarbazone Ligand: Synthesis, Structures and Catalytic C-N Bond Formation Reactions via N-alkylation
• Authors of publication: Ramachandran, Rangasamy; Prakash, Govind; Selvamurugan, Sellappan; Viswanathamurthi, Periasamy; Malecki, Jan; Linert, Wolfgang; Gusev, Alexey N.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 14.3401 ± 0.0005 Å
• b: 16.5933 ± 0.0005 Å
• c: 15.1214 ± 0.0005 Å
• α: 90°
• β: 96.339 ± 0.001°
• γ: 90°
• Cell volume: 3576.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No