Crystallography Open Database

Information card for entry 1561258

Preview

Coordinates	1561258.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	HN063
Formula	C6 H10 Cl8 Hg3 N4
Calculated formula	C6 H10 Cl8 Hg3 N4
SMILES	[Hg]1(Cl)(Cl)[Cl][Hg](Cl)([Cl]1)Cl.[Hg](Cl)Cl.[nH]1cc[nH+]c1.[nH]1cc[nH+]c1
Title of publication	Synthesis, crystal and electronic structures and optical properties of (HIm)2Hg3Cl8 and (HIm)HgI3 (HIm = imidazolium)
Authors of publication	Nhalil, Hariharan; Whiteside, Vincent R.; Sellers, Ian R.; Ming, Wenmei; Du, Mao-Hua; Saparov, Bayrammurad
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	551 - 558
a	6.9115 ± 0.0009 Å
b	7.9194 ± 0.0011 Å
c	9.9721 ± 0.0013 Å
α	100.966 ± 0.002°
β	107.393 ± 0.002°
γ	102.59 ± 0.002°
Cell volume	488.86 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0196
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0458
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
263321 (current)	2021-03-25	cif/ Adding structures of 1561258 via cif-deposit CGI script.	1561258.cif