Crystallography Open Database

Information card for entry 4515111

Preview

Coordinates	4515111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N14 O6 Zn
Calculated formula	C16 H16 N14 O6 Zn
SMILES	c1cccc2c3[n](c(nc(n3)N)N)[Zn]3([n]12)(ON(=O)=O)([n]1ccccc1c1[n]3c(nc(n1)N)N)ON(=O)=O
Title of publication	Programmed Molecular Construction: Driving the Self-Assembly by Coordination and Hydrogen Bonds Using 6-(Pyridin-2-yl)-1,3,5-triazine-2,4-diamine with M(NO<sub>3</sub>)<sub>2</sub> Salts.
Authors of publication	Rajak, Sanil; Mohan, Midhun; A Tremblay, Alexandre; Maris, Thierry; Leal do Santos, Silvano; Venancio, Everaldo Carlos; Ferreira Santos, Sydney; Duong, Adam
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	2
Pages of publication	2708 - 2718
a	9.0912 ± 0.0001 Å
b	11.4484 ± 0.0002 Å
c	19.9334 ± 0.0003 Å
α	90°
β	94.019 ± 0.001°
γ	90°
Cell volume	2069.56 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0258
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
220228 (current)	2019-10-28	cif/ Adding structures of 4515111 via cif-deposit CGI script.	4515111.cif