Crystallography Open Database

Information card for entry 7227100

Preview

Coordinates	7227100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H9 N O4 Zn
Calculated formula	C12 H8 N O4 Zn
Title of publication	Structural diversity of Mn(ii), Zn(ii) and Pb(ii) coordination polymers constructed from isomeric pyridylbenzoate N-oxide ligands: structures and electrochemical properties
Authors of publication	Hu, Lei; Lin, Xiao-Ming; Lin, Jia; Zhang, Ru-Qiao; Zhang, Da-Liang; Cai, Yue-Peng
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	48
Pages of publication	9307
a	12.38 ± 0.005 Å
b	6.836 ± 0.003 Å
c	13.578 ± 0.005 Å
α	90°
β	114.624 ± 0.007°
γ	90°
Cell volume	1044.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1071
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.145
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
190074 (current)	2017-01-09	cif/ Updating files of 7227099, 7227100, 7227101, 7227102, 7227103, 7227104 Original log message: Adding full bibliography for 7227099--7227104.cif.	7227100.cif
188441	2016-11-15	cif/ Adding structures of 7227099, 7227100, 7227101, 7227102, 7227103, 7227104 via cif-deposit CGI script.	7227100.cif