Crystallography Open Database

Information card for entry 4502832

Preview

Coordinates	4502832.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H14 N4 O4 Zn
Calculated formula	C20 H14 N4 O4 Zn
Title of publication	Structure Modulation in Zn(II)‒1,4-Bis(imidazol-1-yl)benzene Frameworks by Varying Dicarboxylate Anions
Authors of publication	Li, Yun-Wu; Ma, Hong; Chen, Yong-Qiang; He, Kun-Huan; Li, Zuo-Xi; Bu, Xian-He
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	189
a	10.556 ± 0.002 Å
b	11.849 ± 0.002 Å
c	17.512 ± 0.006 Å
α	90°
β	117.96 ± 0.02°
γ	90°
Cell volume	1934.7 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.1067
Goodness-of-fit parameter for all reflections included in the refinement	1.152
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
179559 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/28.	4502832.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502832.cif
37763	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502828, 4502829, 4502830, 4502831, 4502832, 4502833 via cif-deposit CGI script.	4502832.cif