Information card for entry 1544016

Structure parameters

• Formula: C25 H27 Cl2 N3 O4 Ru S
• Calculated formula: C25 H27 Cl2 N3 O4 Ru S
• SMILES: c1(cccc[n]1[Ru]12345([c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C)(Cl)Cl)NC(=O)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: 9.1907 ± 0.0006 Å
• b: 12.1973 ± 0.0008 Å
• c: 12.8848 ± 0.0008 Å
• α: 114.157 ± 0.005°
• β: 90.68 ± 0.005°
• γ: 92.396 ± 0.005°
• Cell volume: 1316.1 ± 0.16 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: 0.0623
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No