Crystallography Open Database

Information card for entry 7117116

Preview

Coordinates	7117116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H15 N O4 S Zn
Calculated formula	C26 H15 N O4 S Zn
Title of publication	Two luminescent Zn(II) metal-organic frameworks for exceptionally selective detection of picric acid explosives
Authors of publication	Zhi-Qiang Shi; Zi-Jian Guo; He-Gen Zheng
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	8300
a	7.9902 ± 0.0017 Å
b	11.043 ± 0.002 Å
c	13.43 ± 0.004 Å
α	105.463 ± 0.006°
β	102.922 ± 0.006°
γ	107.508 ± 0.004°
Cell volume	1028 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0668
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1249
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7117116.html