Information card for entry 1564297

Structure parameters

• Formula: C14 H25 Co N9 O11
• Calculated formula: C14 H25 Co N9 O11
• SMILES: [Co]12([n]3n(c(cc3C)C)c3nc(OC)nc(n4c(C)cc([n]24)C)[n]13)([OH2])([OH2])[OH2].O=N(=O)[O-].O=N(=O)[O-].O
• Title of publication: Syntheses, structure, Hirshfeld analysis and antimicrobial activity of four new Co(II) complexes with s-triazine-based pincer ligand
• Authors of publication: Soliman, Saied M.; Elsilk, Sobhy E.; El-Faham, Ayman
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 510
• Pages of publication: 119753
• a: 8.913 ± 0.007 Å
• b: 10.554 ± 0.009 Å
• c: 13.726 ± 0.011 Å
• α: 71.562 ± 0.016°
• β: 89.487 ± 0.014°
• γ: 82.684 ± 0.014°
• Cell volume: 1214.2 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No