Information card for entry 8105549

Structure parameters

• Formula: C23 H30 N4 Ni O4
• Calculated formula: C23 H30 N4 Ni O4
• SMILES: [Ni]123n4c(c(C(=O)OCC)c(c4C=[N]1CCC[N]2=Cc1n3c(c(c1C)C(=O)OCC)C)C)C
• Title of publication: Crystal structure of [5,5′-((propane-1,3-diylbis(azanylylidene))bis(ethan-1-yl-2-ylidene))bis(3-(ethoxycarbonyl)-2,4-dimethylpyrrol-1-ido)-κ4 N,N′,N′′,N′′′]nickel(II), C23H30N4O4Ni
• Authors of publication: Li, Ming; Wu, Jiang-Bin; Zong, Hai-Tao; Wu, Wei-Na
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 81 - 82
• a: 7.5883 ± 0.0009 Å
• b: 12.311 ± 0.0015 Å
• c: 12.7718 ± 0.0015 Å
• α: 95.621 ± 0.002°
• β: 99.908 ± 0.002°
• γ: 101.3 ± 0.002°
• Cell volume: 1141.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No