Information card for entry 4502102

Structure parameters

• Formula: C19.5 H14 N6 Ni O4.5
• Calculated formula: C19.5 H14 N6 Ni O4.5
• Title of publication: Ligand-Directed Assembly of Asymmetric 1,3,5-Triazine Ligands Containing Pyridyl and Hydroxyl Groups
• Authors of publication: Cao, Man-Li; Wu, Jin-Ji; Liang, Jin-Juan; Ye, Bao-Hui
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4934
• a: 8.6369 ± 0.0007 Å
• b: 16.9044 ± 0.0014 Å
• c: 13.1088 ± 0.001 Å
• α: 90°
• β: 92.608 ± 0.001°
• γ: 90°
• Cell volume: 1911.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No