Crystallography Open Database

Information card for entry 7226509

Preview

Coordinates	7226509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 Hg N6 O2
Calculated formula	C7 H6 Hg N6 O2
Title of publication	Syntheses, structures and investigation of the properties of mercury coordination polymers based on 5-amino-tetrazolate ligands
Authors of publication	Liu, Dong-Sheng; Chen, Wen-Tong; Huang, Jian-Gen; Cheng, Xiao-Di; Wang, Jie; Sui, Yan
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	40
Pages of publication	7865
a	7.2488 ± 0.001 Å
b	6.2654 ± 0.0008 Å
c	10.1326 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	460.19 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	51
Hermann-Mauguin space group symbol	P m m a
Hall space group symbol	-P 2a 2a
Residual factor for all reflections	0.0432
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.1065
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
188097 (current)	2016-11-08	cif/ Updating files of 7226506, 7226507, 7226508, 7226509 Original log message: Adding full bibliography for 7226506--7226509.cif.	7226509.cif
186311	2016-09-09	cif/ Adding structures of 7226506, 7226507, 7226508, 7226509 via cif-deposit CGI script.	7226509.cif