Crystallography Open Database

Information card for entry 7062536

Preview

Coordinates	7062536.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
284764 (current)	2023-07-04	cif/ Adding structures of 7062536 via cif-deposit CGI script.	7062536.cif