Information card for entry 7058575

Structure parameters

• Formula: C17 H19 Cu N3 O7
• Calculated formula: C17 H19 Cu N3 O7
• 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: 7.9369 ± 0.0017 Å
• b: 9.3422 ± 0.0014 Å
• c: 13.803 ± 0.004 Å
• α: 96.523 ± 0.018°
• β: 105.99 ± 0.02°
• γ: 105.591 ± 0.016°
• Cell volume: 928 ± 0.4 ų
• Cell temperature: 294.28 ± 0.15 K
• Ambient diffraction temperature: 294.28 ± 0.15 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: 0.0898
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No