Crystallography Open Database

Information card for entry 4326622

Preview

Coordinates	4326622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H48 Cl4 N2 Zn
Calculated formula	C20 H48 Cl4 N2 Zn
SMILES	[Zn](Cl)(Cl)([Cl-])[Cl-].[NH3+]CCCCCCCCCC.[NH3+]CCCCCCCCCC
Title of publication	Crystal Structures, Lattice Potential Energies, and Thermochemical Properties of Crystalline Compounds (1-CnH2n+1NH3)2ZnCl4(s) (n= 8, 10, 12, and 13)
Authors of publication	Yupu Liu; Youying Di; Donghua He; Qian Zhou; Jianmin Dou
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	10755 - 10764
a	7.3785 ± 0.0009 Å
b	10.297 ± 0.0011 Å
c	37.695 ± 0.003 Å
α	90°
β	95.549 ± 0.001°
γ	90°
Cell volume	2850.5 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1185
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1409
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179369 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/66.	4326622.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326622.cif
49396	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4326622 via cif-deposit CGI script.	4326622.cif