Crystallography Open Database

Information card for entry 7042377

Preview

Coordinates	7042377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N6 O4 Zn
Calculated formula	C15 H16 N6 O4 Zn
Title of publication	Selective gas adsorption and fluorescence sensing response of a Zn(ii) metal-organic framework constructed by a mixed-ligand strategy.
Authors of publication	Liu, Xiao-Jing; Wang, Xi; Xu, Jia-Li; Tian, Dan; Chen, Rong-Ying; Xu, Jian; Bu, Xian-He
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	15
Pages of publication	4893 - 4897
a	10.37 ± 0.002 Å
b	10.025 ± 0.002 Å
c	19.575 ± 0.004 Å
α	90°
β	92.13 ± 0.03°
γ	90°
Cell volume	2033.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.22
Residual factor for significantly intense reflections	0.1057
Weighted residual factors for significantly intense reflections	0.2095
Weighted residual factors for all reflections included in the refinement	0.2574
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
196460 (current)	2017-05-06	cif/ Updating files of 7042377 Original log message: Adding full bibliography for 7042377.cif.	7042377.cif
194116	2017-03-09	cif/ Adding structures of 7042377 via cif-deposit CGI script.	7042377.cif