Information card for entry 1518923

Structure parameters

• Formula: C42 H42 Cl2 Co N8 Na O14
• Calculated formula: C42 H42 Cl2 Co N8 Na O14
• SMILES: c1cccc2[n]1[Co]134([N](c5ccccc5N1c1ccccc1)=N2)[n]1ccccc1N=[N]3c1ccccc1N4c1ccc2c(c1)[O]1CC[O]3CC[O]4CC[O]5CC[O]2[Na]1345([OH2])OCl(=O)(=O)=O.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: 9.1134 ± 0.0015 Å
• b: 19.816 ± 0.003 Å
• c: 25.634 ± 0.004 Å
• α: 90°
• β: 95.021 ± 0.005°
• γ: 90°
• Cell volume: 4611.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No