Information card for entry 1564972

Structure parameters

• Formula: C19 H13 N7 Ni O13
• Calculated formula: C19 H13 N7 Ni O13
• SMILES: c1cccc2c3[n]4[Ni]([n]12)([OH2])([OH2])([n]1ccccc1c4cc(c3)c1ncccn1)[OH2].N(=O)(=O)[O-].O.O.N(=O)(=O)[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: 14.4995 ± 0.0009 Å
• b: 15.0132 ± 0.0005 Å
• c: 12.2077 ± 0.0007 Å
• α: 90°
• β: 98.782 ± 0.006°
• γ: 90°
• Cell volume: 2626.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.2063
• Weighted residual factors for all reflections included in the refinement: 0.2313
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No