Information card for entry 8105117

Structure parameters

• Formula: C22 H30 N8 Ni O4 S2
• Calculated formula: C22 H30 N8 Ni O4 S2
• Title of publication: Crystal structure of bis(N′-((5-(ethoxycarbonyl)-1H-pyrrol-2-yl)methylene)-N-ethylcarbamohydrazonothioato-κ2N,O)nickel(II), C22H30N8O4S2Ni
• Authors of publication: Chen, Kui-Kui; Huang, Jing-Tao; Lin, Long; Wu, Wei-Na
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 389 - 390
• a: 10.635 ± 0.002 Å
• b: 10.308 ± 0.002 Å
• c: 12.444 ± 0.003 Å
• α: 90°
• β: 101.205 ± 0.004°
• γ: 90°
• Cell volume: 1338.2 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0667
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0937
• 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