Information card for entry 7219257

Structure parameters

• Formula: C44 H42 N6 P2 Ru S2
• Calculated formula: C44 H42 N6 P2 Ru S2
• SMILES: c1(ccccc1)[P]1([Ru]234([N](=Cc5c1cccc5)N=C(NCC)S4)[N](=Cc1c(cccc1)[P]2(c1ccccc1)c1ccccc1)N=C(NCC)S3)c1ccccc1
• 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: 11.08 ± 0.002 Å
• b: 22.178 ± 0.004 Å
• c: 16.849 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4140.3 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No