Crystallography Open Database

Information card for entry 8102557

Preview

Coordinates	8102557.cif

Structure parameters

Chemical name	poly-[[biphenylethene-4,4'-dicarboxylato] zinc(II)-bis[2-methyl-1H-imidazole]] hydrate
Formula	C24 H23 N4 O5 Zn
Calculated formula	C24 H22 N4 O5 Zn
Title of publication	Crystal structure of (biphenylethene-4,4'-dicarboxylato)-bis(2-methyl-1H-imidazole)zinc(II) hydrate, Zn(C16H10O4)(C4H6N2)2 · H2O
Authors of publication	Da-Jun Sun; Ya-Ping Li; Hu Zang; Li-Ying Han; Yu-Lin Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	671
a	25.206 ± 0.005 Å
b	15.132 ± 0.005 Å
c	7.647 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	2917 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.0834
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1631
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	8102557.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102557.cif
13296	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102557 via cif-deposit CGI script.	8102557.cif