Information card for entry 1544015

Structure parameters

• Formula: C25 H26 Cl N3 O4 Ru S
• Calculated formula: C25 H26 Cl N3 O4 Ru S
• SMILES: c12cccc[n]1[Ru]13456([c]7([cH]1[cH]3[c]4([cH]5[cH]67)C)C(C)C)(Cl)OC(=N2)C1=C(c2ccccc2S(=O)(=O)N1C)O
• Title of publication: Arene ruthenium and pentamethylcyclopentadienyl rhodium and iridium complexes containing N,O-chelating ligands derived from piroxicam: Synthesis, molecular structure and cytotoxicity
• Authors of publication: Mathiyazhagan Ulaganatha Raja; Jiri Tauchman; Bruno Therrien; Georg Suss-Fink; Tina Riedel; Paul J. Dyson
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 479 - 483
• a: 7.3759 ± 0.0006 Å
• b: 12.5195 ± 0.0011 Å
• c: 13.1527 ± 0.0011 Å
• α: 98.522 ± 0.007°
• β: 102.916 ± 0.007°
• γ: 92.937 ± 0.007°
• Cell volume: 1166.26 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No