Crystallography Open Database

Information card for entry 1552862

Preview

Coordinates	1552862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 Cl4 D6 N4 O4 Zn
Calculated formula	C14 H16 Cl4 D6 N4 O4 Zn
SMILES	c1(ccc(cc1)[NH2+][2H])C(=O)N.O([2H])[2H].O([2H])[2H].Cl[Zn](Cl)([Cl-])[Cl-].c1(ccc(cc1)[NH2+][2H])C(=O)N
Title of publication	Flexible Thin Film and Bulk Switchable Relaxor Coexisting Most Optimal 473 nm Blue Light without Blue-Light Hazard/Visual Injury
Authors of publication	Nie, Yu; Zhang, Zhi-Xu; Shi, Ping-Ping; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2019
a	19.0387 ± 0.0013 Å
b	15.0913 ± 0.0009 Å
c	7.2869 ± 0.0005 Å
α	90°
β	96.822 ± 0.006°
γ	90°
Cell volume	2078.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0472
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
227683 (current)	2019-11-13	cif/ Adding structures of 1552862 via cif-deposit CGI script.	1552862.cif