Information card for entry 7058574

Structure parameters

• Formula: C32 H30 N4 Ni O6
• Calculated formula: C32 H30 N4 Ni O6
• Title of publication: Antimicrobial activities of self-assembled copper(ii), nickel(ii), and cobalt(iii) complexes combined with crystallographic, spectroscopic, DFT calculations and Hirshfeld surfaces analyses
• Authors of publication: Chai, Lan-Qin; Zhou, Ling; Zhang, Hong-Bin; Mao, Kuan-Hao; Zhang, Hong-Song
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12417
• a: 22.4359 ± 0.0015 Å
• b: 9.3017 ± 0.0003 Å
• c: 17.2225 ± 0.0011 Å
• α: 90°
• β: 128.389 ± 0.01°
• γ: 90°
• Cell volume: 2817.2 ± 0.5 ų
• Cell temperature: 291.74 ± 0.1 K
• Ambient diffraction temperature: 291.74 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No