Crystallography Open Database

Information card for entry 1561062

Preview

Coordinates	1561062.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H4 Cl2 Hg N4
Calculated formula	C2 H4 Cl2 Hg N4
SMILES	[Hg](Cl)(Cl)[n]1nn[nH]c1C
Title of publication	Synthesis, structures and properties of three mercury coordination polymers based on 5-methyltetrazolate ligand
Authors of publication	Liu, Dong-Sheng; Sui, Yan; Ye, Guang-Ming; Wang, Hui-ying; Liu, Jian-Qi; Chen, Wen-Tong
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	263
Pages of publication	182 - 189
a	3.9745 ± 0.0003 Å
b	20.3557 ± 0.0012 Å
c	9.2007 ± 0.0004 Å
α	90°
β	94.492 ± 0.005°
γ	90°
Cell volume	742.08 ± 0.08 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	0.0582
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1185
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
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
263082 (current)	2021-03-17	cif/ Adding structures of 1561062, 1561063 via cif-deposit CGI script.	1561062.cif