Crystallography Open Database

Information card for entry 8103091

Preview

Coordinates	8103091.cif

Structure parameters

Chemical name	(1,4-bis((1H-imidazol-1-yl)methyl)benzene)-(5-hydroxyisophthalato) zinc(II)
Formula	C22 H18 N4 O5 Zn
Calculated formula	C22 H18 N4 O5 Zn
Title of publication	Crystal structure of (1,4-bis((1H-imidazol-1-yl)methyl)benzene)-(5-hydroxyisophthalato)zinc(II), Zn(C14H14N4)(C8H4O5)
Authors of publication	Dao-Cheng Xia; Qiu-Ping Han; Shuang Han; Xin-Lu Cao; Yun-De Zhu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	49
a	8.1529 ± 0.0004 Å
b	9.6506 ± 0.0004 Å
c	25.7059 ± 0.001 Å
α	90°
β	97.864 ± 0.004°
γ	90°
Cell volume	2003.53 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0679
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0638
Goodness-of-fit parameter for all reflections included in the refinement	0.783
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
176728 (current)	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.	8103091.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103091.cif
29010	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103091 via cif-deposit CGI script.	8103091.cif