Information card for entry 2023301

Structure parameters

• Chemical name: Bis{5-(4-chlorophenyl)-3-[6-(1<i>H</i>-pyrazol-1-yl)pyridin-2-yl]-1<i>H</i>-1,2,4-triazol-1-ido}nickel(II) methanol disolvate
• Formula: C34 H28 Cl2 N12 Ni O2
• Calculated formula: C34 H28 Cl2 N12 Ni O2
• Title of publication: Crystal structure of bis{5-(4-chlorophenyl)-3-[6-(1H-pyrazol-1-yl)pyridin-2-yl]-1H-1,2,4-triazol-1-ido}nickel(II) methanol disolvate
• Authors of publication: Znovjyak, Kateryna; Shova, Sergiu; Panov, Dmitriy M.; Kariaka, Nataliia S.; Fritsky, Igor O.; Malinkin, Sergey O.; Seredyuk, Maksym
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1235 - 1239
• a: 12.8146 ± 0.0004 Å
• b: 10.1523 ± 0.0004 Å
• c: 27.5618 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3585.7 ± 0.2 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No