Crystallography Open Database

Information card for entry 7222134

Preview

Coordinates	7222134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H6 Hg N4
Calculated formula	C10 H6 Hg N4
SMILES	[Hg](C#N)C#N.n1ccnc2ccccc12
Title of publication	Two reversible transformable mercury(II) coordination polymers as efficient adsorbents for removal of dibenzothiophene
Authors of publication	Hou, yong; Masoomi, Mohammad Yaser; Bagheri, Minoo; Morsali, Ali; Joo, Sang Woo
Journal of publication	RSC Adv.
Year of publication	2015
a	10.135 ± 0.0005 Å
b	10.1437 ± 0.0005 Å
c	11.0965 ± 0.0006 Å
α	88.561 ± 0.003°
β	88.606 ± 0.002°
γ	68.603 ± 0.002°
Cell volume	1061.69 ± 0.09 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222134.cif
156319	2015-09-15	cif/ Adding structures of 7222132, 7222133, 7222134 via cif-deposit CGI script.	7222134.cif