Information card for entry 1564974

Structure parameters

• Formula: C38 H26 Co N12 O6.5
• Calculated formula: C38 H26 Co N12 O6.5
• SMILES: c1[n]2c(c3[n]4c(cc(n3)c3ncccc3)c3[n](cccc3)[Co]3524[n]2ccccc2c2[n]3c(c3[n]5cccc3)cc(n2)c2ccccn2)ccc1.O=N(=O)[O-].O=N(=O)[O-].O
• Title of publication: A new route for the synthesis of 2,4-bis(2-pyridyl)-6-(pyridyl)pyrimidines: Synthesis and characterization of Co(II), Ni(II) complexes of 2,4,6-tris(2-pyridyl)pyrimidine
• Authors of publication: Bori, Jugal; Mahata, Satyajit; Manivannan, Vadivelu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 506
• Pages of publication: 119506
• a: 8.8536 ± 0.0009 Å
• b: 13.6966 ± 0.0014 Å
• c: 15.8989 ± 0.0016 Å
• α: 98.402 ± 0.003°
• β: 103.957 ± 0.003°
• γ: 90.379 ± 0.003°
• Cell volume: 1849.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No