Crystallography Open Database

Information card for entry 7056815

Preview

Coordinates	7056815.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Hg6P4)(CrCl6)Cl
Formula	Cl7 Cr Hg6 P4
Calculated formula	Cl7 Cr Hg6 P4
Title of publication	A new pnictidehalide with van der Waals host‒guest interactions exhibiting both geometric spin frustration and resistive humidity sensitivity
Authors of publication	Peng, Si-Yan; Yang, Liu-Sai; Yao, Ming-Shui; Yu, Le-Shu
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	3
Pages of publication	1787
a	11.7364 ± 0.0003 Å
b	11.7364 ± 0.0003 Å
c	11.7364 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1616.61 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0681
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
230570 (current)	2019-11-17	cif/ Updating files of 7056815 Original log message: Adding full bibliography for 7056815.cif.	7056815.cif
211196	2018-09-27	cod/ Removing the _chemical_name_common and _chemical_name_systematic data items that contained the summary chemical formula instead of the chemical name from 6249 entries.	7056815.cif
204305	2017-12-16	cif/ Adding structures of 7056815 via cif-deposit CGI script.	7056815.cif