Information card for entry 1515699

Structure parameters

• Formula: C44 H52 N8 O4 P Ru S2
• Calculated formula: C44 H52 N8 O4 P Ru S2
• SMILES: O=CN(C)C.O=CN(C)C.CCNC1=N[N](=Cc2ccccc2O)[Ru]23(S1)(SC(=N[N]3=Cc1c(O2)cccc1)NCC)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structure and biological evaluation of bis salicylaldehyde-4(N)-ethylthiosemicarbazone ruthenium(iii) triphenylphosphine.
• Authors of publication: Prabhakaran, R.; Kalaivani, P.; Jayakumar, R.; Zeller, M.; Hunter, A. D.; Renukadevi, S. V.; Ramachandran, E.; Natarajan, K.
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 42 - 48
• a: 25.792 ± 0.003 Å
• b: 8.6974 ± 0.0009 Å
• c: 21.213 ± 0.002 Å
• α: 90°
• β: 111.142 ± 0.002°
• γ: 90°
• Cell volume: 4438.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1212
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No