Information card for entry 1543954

Structure parameters

• Formula: C36 H38 Co N8 O10 S2
• Calculated formula: C36 H38 Co N8 O10 S2
• SMILES: [Co]12(O/C(=C3\N(S(=O)(=O)c4c(C3=O)cccc4)C)Nc3[n]1cccc3)(OC(=C\1N(S(=O)(=O)c3c(C1=O)cccc3)C)\Nc1[n]2cccc1)([O]=CN(C)C)[O]=CN(C)C
• Title of publication: The piroxicam complex of cobalt(II): Synthesis in two different ionic liquids, structure, DNA- and BSA interaction and molecular modeling
• Authors of publication: Farivash Darabi; Hassan Hadadzadeh; Malihe Ebrahimi; Taghi Khayamian; Hadi Amiri Rudbari
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 379 - 389
• a: 9.9483 ± 0.0003 Å
• b: 8.0475 ± 0.0003 Å
• c: 24.5645 ± 0.0007 Å
• α: 90°
• β: 98.205 ± 0.002°
• γ: 90°
• Cell volume: 1946.48 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1059
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No