Crystallography Open Database

Information card for entry 2019201

2019200 << 2019201 >> 2019202

Preview

Coordinates	2019201.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1-cyclohexylpiperazine-1,4-diium tetrachloridozincate
Formula	C10 H22 Cl4 N2 Zn
Calculated formula	C10 H22 Cl4 N2 Zn
SMILES	[Zn](Cl)(Cl)([Cl-])[Cl-].[NH+]1(C2CCCCC2)CC[NH2+]CC1
Title of publication	The organic‒inorganic hybrid material 1-cyclohexylpiperazine-1,4-diium tetrachloridozincate
Authors of publication	Soudani, Sarra; Aubert, Emmanuel; Jelsch, Christian; Ben Nasr, Cherif
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	1304 - 1306
a	11.3673 ± 0.0002 Å
b	9.5997 ± 0.0002 Å
c	28.6571 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3127.14 ± 0.1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0227
Residual factor for significantly intense reflections	0.0216
Weighted residual factors for significantly intense reflections	0.055
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176760 (current)	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019201.cif
91101	2013-12-09	cif/ Adding structures of 2019201 via cif-deposit CGI script.	2019201.cif