Crystallography Open Database

Information card for entry 8103109

Preview

Coordinates	8103109.cif

Structure parameters

Chemical name	(4,4'-bis(imidazol-1-ylmethyl)bibenzene) -(5-hydroxyisophthalato) zinc (II)
Formula	C28 H22 N4 O5 Zn
Calculated formula	C28 H22 N4 O5 Zn
Title of publication	Crystal structure of (4,4'-bis(imidazol-1-ylmethyl)biphenyl)-(5-hydroxyisophthalato)zinc(II), Zn(C20H18N4)(C8H4O5)
Authors of publication	Dao-Cheng Xia; Shuai Shi; Ji-Huan Yao; Hui-Xuan Ma; Chang-Qing Han; Li-Ping Wang; Qing-Yang Liu
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	1
Pages of publication	29
a	14.829 Å
b	18.184 Å
c	9.493 Å
α	90°
β	90°
γ	90°
Cell volume	2559.79 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.0353
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	0.898
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.	8103109.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103109.cif
29047	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 8103109 via cif-deposit CGI script.	8103109.cif