Crystallography Open Database

Information card for entry 8102288

Preview

Coordinates	8102288.cif

Structure parameters

Formula	C18 H32 Cl2 N12 O4 Zn
Calculated formula	C18 H32 Cl2 N12 O4 Zn
Title of publication	Crystal structure of hexaimidazolyl-zincum(II) dichloride tetrahydrate, [Zn(C3H4N2)6]Cl2 · 4H2O
Authors of publication	Wen Wu; Xin Jian Yao; Ya Wen Xuan; Ji Min Xie
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	3
Pages of publication	251
a	8.8097 ± 0.0018 Å
b	9.0812 ± 0.0018 Å
c	10.586 ± 0.002 Å
α	75.08 ± 0.03°
β	83.14 ± 0.03°
γ	61.84 ± 0.03°
Cell volume	721.5 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102288.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102288.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102288.cif
13027	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102288 via cif-deposit CGI script.	8102288.cif