Information card for entry 7062536

Structure parameters

• Chemical name: 3,4,5-trihydroxybenzoato-N-methyl(pyridine-2-yl)cyanoguanidinecopper(II)chloride trihydrate
• Formula: C32 H46 Cl2 Cu2 N10 O17
• Calculated formula: C32 H46 Cl2 Cu2 N10 O17
• Title of publication: The effect of gallic acid on the copper(ii) complex of N-(methylpyridin-2-yl)-amidino-O-methylurea: crystal structure, DNA interactions, in vitro cytotoxicity and antibacterial activity
• Authors of publication: Nonkuntod, Prangtip; Boonmak, Jaursup; Senawong, Thanaset; Soikum, Chaiyaporn; Chaveerach, Prapansak; Watwiangkham, Athis; Suthirakun, Suwit; Chaveerach, Unchulee
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 26
• Pages of publication: 12259 - 12273
• a: 12.3859 ± 0.0005 Å
• b: 6.7939 ± 0.0002 Å
• c: 25.8663 ± 0.0009 Å
• α: 90°
• β: 103.032 ± 0.001°
• γ: 90°
• Cell volume: 2120.55 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No