Crystallography Open Database

Information card for entry 8105151

Preview

Coordinates	8105151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 Cl4 N4 Zn
Calculated formula	C20 H26 Cl4 N4 Zn
SMILES	c1(CCC)[nH]c2c(cccc2)[nH+]1.CCCc1[nH]c2c(cccc2)[nH+]1.Cl[Zn](Cl)([Cl-])[Cl-]
Title of publication	Crystal structure of bis(2-propyl-1H-benzo[d]imidazol-3-ium) tetrachloridozincate(II), C10H13Cl4N2Zn
Authors of publication	Shi, Xiao-Ming; Li, Shu-Jing; Xiao, Li-Na; Li, Meng-Jing
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	2
Pages of publication	497 - 499
a	13.37 ± 0.002 Å
b	10.0304 ± 0.0014 Å
c	17.913 ± 0.002 Å
α	90°
β	93.95 ± 0.004°
γ	90°
Cell volume	2396.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 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	0.0814
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.1038
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
274917 (current)	2022-05-05	cif/ Adding structures of 8105151 via cif-deposit CGI script.	8105151.cif