Information card for entry 7059272

Structure parameters

• Formula: C20 H32.34 Cl2 N10 Ni O3.17
• Calculated formula: C20 H32.33 Cl2 N10 Ni O3.17
• Title of publication: Theoretical and experimental study of the coordination ability of 4,6-dimethylpyrimidinylhydrazone diacetylmonooxime towards Ni(ii), Mn(ii), Fe(iii) and Co(iii) ions
• Authors of publication: Lukov, Vladimir V.; Tsaturyan, Arshak A.; Tupolova, Yulia P.; Popov, Leonid D.; Shcherbakov, Igor N.; Lebedev, Vladimir E.; Askalepova, Olga I.; Lastovina, Tatiana A.; Lazarenko, Vladimir A.; Khustalev, Victor N.; Poler, Jordan C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2146 - 2154
• a: 11.07 ± 0.002 Å
• b: 11.18 ± 0.002 Å
• c: 12.88 ± 0.003 Å
• α: 70.07 ± 0.03°
• β: 65.63 ± 0.03°
• γ: 88.17 ± 0.03°
• Cell volume: 1354 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.7927 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No