Crystallography Open Database

Information card for entry 4518209

Preview

Coordinates	4518209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Hg I4 N4
Calculated formula	C24 H18 Hg I4 N4
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	8.991 ± 0.003 Å
b	19.04 ± 0.008 Å
c	9.004 ± 0.003 Å
α	90°
β	93.322 ± 0.013°
γ	90°
Cell volume	1538.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	10
Hermann-Mauguin space group symbol	P 1 2/m 1
Hall space group symbol	-P 2y
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1032
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4518209.cif
259034	2020-11-08	cif/ Adding structures of 4518209 via cif-deposit CGI script.	4518209.cif