Crystallography Open Database

Information card for entry 1559914

Preview

Coordinates	1559914.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	hexane-1,6-diaminium tetrachloro-palladium(ii)
Formula	C6 H18 Cl4 N2 Pd
Calculated formula	C6 H18 Cl4 N2 Pd
Title of publication	Experimental and Theoretical Evidence of Attractive Interactions between Dianions: [PdCl4]2-...[PdCl4]2-
Authors of publication	Zierkiewicz, Wiktor; Michalczyk, Mariusz; Maris, Thierry; Wysokinski, Rafal; Scheiner, Steve
Journal of publication	Chemical Communications
Year of publication	2021
a	7.2281 ± 0.0007 Å
b	8.1281 ± 0.0005 Å
c	11.7212 ± 0.0012 Å
α	70.892 ± 0.004°
β	87.545 ± 0.005°
γ	89.101 ± 0.003°
Cell volume	650.09 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.041
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.146
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270793 (current)	2021-11-21	cif/ Updating files of 1559914 Original log message: Updated bibliographic information (article)	1559914.cif
267681	2021-07-22	cif/ Updating files of 1559914 Original log message: Pending Cpt Structure for Publication	1559914.cif
260390	2021-01-03	cif/ Adding structures of 1559914 via cif-deposit CGI script.	1559914.cif