Crystallography Open Database

Information card for entry 7230183

Preview

Coordinates	7230183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 Mn2 N5 O6
Calculated formula	C13 H12 Mn2 N5 O6
Title of publication	Six novel coordination polymers based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: structures, luminescence, and magnetic properties
Authors of publication	Zhang, Xiu-Mei; Liu, Feng; Gao, Wei; Huang, Hong; Liu, Jie-Ping
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	14
Pages of publication	1985
a	6.9787 ± 0.0008 Å
b	19.687 ± 0.002 Å
c	11.6833 ± 0.0011 Å
α	90°
β	92.269 ± 0.004°
γ	90°
Cell volume	1603.9 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0844
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
229068 (current)	2019-11-17	cif/ Updating files of 7230178, 7230179, 7230180, 7230181, 7230182, 7230183 Original log message: Adding full bibliography for 7230178--7230183.cif.	7230183.cif
206605	2018-02-23	cif/ Adding structures of 7230178, 7230179, 7230180, 7230181, 7230182, 7230183 via cif-deposit CGI script.	7230183.cif