Crystallography Open Database

Information card for entry 7223971

Preview

Coordinates	7223971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H7 Mn N4 Na O6
Calculated formula	C9 H7 Mn N4 Na O6
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	19.571 ± 0.002 Å
b	11.0278 ± 0.0009 Å
c	13.2983 ± 0.0012 Å
α	90°
β	124.084 ± 0.001°
γ	90°
Cell volume	2377.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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.	7223971.cif
174818	2016-01-23	cif/ Adding structures of 7223969, 7223970, 7223971, 7223972 via cif-deposit CGI script.	7223971.cif