Crystallography Open Database

Information card for entry 7242199

Preview

Coordinates	7242199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 N6 O4
Calculated formula	C14 H16 N6 O4
SMILES	O=C([O-])c1ccc2cc(O)ccc2c1.O.[nH+]1c(nc(nc1N)N)N
Title of publication	Supramolecular salts assembled by melamine and two organic hydroxyl acids: synthesis, structure, hydrogen bonds, and luminescent property
Authors of publication	Li, Fengcai; Xu, Hao; Xu, Xinwei; Cang, Hui; Xu, Jiaying; Chen, Song
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	11
Pages of publication	2235 - 2248
a	35.3301 ± 0.0011 Å
b	10.8822 ± 0.0003 Å
c	7.5873 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2917.08 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0941
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263734 (current)	2021-04-05	cif/ Updating files of 7242199, 7242200 Original log message: Adding full bibliography for 7242199--7242200.cif.	7242199.cif
261289	2021-01-28	cif/ Adding structures of 7242199, 7242200 via cif-deposit CGI script.	7242199.cif