Crystallography Open Database

Information card for entry 7223969

Preview

Coordinates	7223969.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H13 N5 O5 Zn
Calculated formula	C11 H3 N5 O5 Zn
Title of publication	Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties
Authors of publication	Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	9
Pages of publication	1523
a	10.097 ± 0.0009 Å
b	12.8101 ± 0.0011 Å
c	10.9229 ± 0.0011 Å
α	90°
β	102.581 ± 0.002°
γ	90°
Cell volume	1378.9 ± 0.2 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	0.1359
Residual factor for significantly intense reflections	0.0793
Weighted residual factors for significantly intense reflections	0.1628
Weighted residual factors for all reflections included in the refinement	0.2196
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177764 (current)	2016-03-05	cif/ Updating files of 7223969, 7223970, 7223971, 7223972 Original log message: Adding full bibliography for 7223969--7223972.cif.	7223969.cif
174818	2016-01-23	cif/ Adding structures of 7223969, 7223970, 7223971, 7223972 via cif-deposit CGI script.	7223969.cif