Information card for entry 7219258

Structure parameters

• Formula: C59 H52 N3 O P3 Ru S
• Calculated formula: C59 H52 N3 O P3 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: 9.4861 ± 0.0004 Å
• b: 13.3046 ± 0.0005 Å
• c: 21.9391 ± 0.0009 Å
• α: 86.469 ± 0.003°
• β: 79.675 ± 0.003°
• γ: 71.36 ± 0.003°
• Cell volume: 2581.15 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0758
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No