Crystallography Open Database

Information card for entry 7219759

7219758 << 7219759 >> 7219760

Preview

Coordinates	7219759.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Cl2 N2 O4 Zn
Calculated formula	C20 H18 Cl2 N2 O4 Zn
SMILES	[Zn]1(Cl)(Cl)[N](c2c(O)cccc2)=Cc2[n]1c1c(cc2)cccc1OCC(=O)OCC
Title of publication	Naked-eye-based selective detection of pyrophosphate with Zn2+ complex in aqueous solution and electrospun nanofibers
Authors of publication	Li, Zhanxian; Zhang, Wenying; Liu, Xingjiang; Liu, Chunxia; Yu, Mingming; Wei, Liuhe
Journal of publication	RSC Adv.
Year of publication	2015
a	9.6068 ± 0.001 Å
b	9.8747 ± 0.0015 Å
c	11.0893 ± 0.0014 Å
α	95.233 ± 0.012°
β	102.357 ± 0.01°
γ	90.567 ± 0.011°
Cell volume	1022.9 ± 0.2 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0951
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	0.994
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7219759.html