Crystallography Open Database

Information card for entry 7222170

Preview

Coordinates	7222170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H40 Br6 N2 Zn2
Calculated formula	C16 H40 Br6 N2 Zn2
SMILES	C(C)[N+](CC)(CC)CC.[Br]1[Zn](Br)([Br][Zn]1(Br)Br)Br.C(C)[N+](CC)(CC)CC
Title of publication	Zinc bromide in aqueous solutions of ionic liquid bromide salts: the interplay between complexation and electrochemistry
Authors of publication	Easton, Max Eric; Turner, Peter; Masters, Anthony Frederick; Maschmeyer, Thomas
Journal of publication	RSC Adv.
Year of publication	2015
a	8.9131 ± 0.001 Å
b	10.4346 ± 0.0012 Å
c	15.6895 ± 0.0019 Å
α	90°
β	104.58 ± 0.007°
γ	90°
Cell volume	1412.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1439
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
156723 (current)	2015-09-17	cif/ Adding structures of 7222169, 7222170 via cif-deposit CGI script.	7222170.cif