Information card for entry 1518922

Structure parameters

• Formula: C50 H54 Cl Co N8 O14
• Calculated formula: C50 H54 Cl Co N8 O14
• SMILES: [Co]1234([n]5ccccc5N=[N]1c1ccccc1N2c1ccc2OCCOCCOCCOCCOc2c1)[n]1ccccc1N=[N]3c1ccccc1N4c1cc2OCCOCCOCCOCCOc2cc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Ionophoric azoaromatics: Synthesis, isolation and complex formation with alkali metal ions
• Authors of publication: Pradip Ghosh; Suman K. Roy; Debajyoti Ghoshal; Rajat Saha; Golam Mostafa; Sreebrata Goswami
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 260 - 266
• a: 16.129 ± 0.0007 Å
• b: 16.7338 ± 0.0008 Å
• c: 20.2239 ± 0.0007 Å
• α: 90°
• β: 116.502 ± 0.003°
• γ: 90°
• Cell volume: 4884.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No