Information card for entry 1564973

Structure parameters

• Formula: C76 H52 N24 Ni2 O13
• Calculated formula: C76 H52 N24 Ni2 O13
• 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: 8.7983 ± 0.0006 Å
• b: 13.6714 ± 0.0007 Å
• c: 15.8434 ± 0.0008 Å
• α: 97.758 ± 0.004°
• β: 103.528 ± 0.005°
• γ: 90.351 ± 0.005°
• Cell volume: 1834.49 ± 0.19 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: 0.0835
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1835
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No