Information card for entry 2108770

Structure parameters

• Chemical name: <i>catena</i>-Poly[[{2-methoxy-6-[8-(pyridin-2-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]phenolato}nickel(II)]-μ-dicyanamidato]
• Formula: C18 H16 N6 Ni O4
• Calculated formula: C18 H16 N6 Ni O4
• Title of publication: A half-salamo-based pyridine-containing ligand and its novel Ni^II^ complexes including different auxiliary ligands: syntheses, structures, fluorescence properties, DFT calculations and Hirshfeld surface analysis
• Authors of publication: Feng, Tao; Li, Li-Li; Li, Ya-Juan; Dong, Wen-Kui
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 168 - 181
• a: 9.5255 ± 0.0011 Å
• b: 17.0181 ± 0.0016 Å
• c: 11.2611 ± 0.0011 Å
• α: 90°
• β: 93.25 ± 0.01°
• γ: 90°
• Cell volume: 1822.6 ± 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: 0.1275
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes