Crystallography Open Database

Information card for entry 4518208

Preview

Coordinates	4518208.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Br4 Hg N2
Calculated formula	C10 H10 Br4 Hg N2
SMILES	[Hg](Br)(Br)([Br-])[Br-].[nH+]1ccccc1c1[nH+]cccc1
Title of publication	Influence of Aromatic Cations on the Structural Arrangement of Hg(II) Halides.
Authors of publication	Sánchez-Férez, Francisco; Solans-Monfort, Xavier; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina
Journal of publication	ACS omega
Year of publication	2020
Journal volume	5
Journal issue	45
Pages of publication	29357 - 29372
a	8.464 ± 0.0006 Å
b	14.0128 ± 0.001 Å
c	12.6748 ± 0.0008 Å
α	90°
β	99.102 ± 0.002°
γ	90°
Cell volume	1484.36 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0228
Weighted residual factors for significantly intense reflections	0.0545
Weighted residual factors for all reflections included in the refinement	0.055
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
259510 (current)	2020-12-04	cif/ Updating files of 4518208, 4518209, 4518210, 4518211, 4518212, 4518213 Original log message: Adding full bibliography for 4518208--4518213.cif.	4518208.cif
259033	2020-11-08	cif/ Adding structures of 4518208 via cif-deposit CGI script.	4518208.cif