Crystallography Open Database

Information card for entry 4337321

Preview

Coordinates	4337321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H14 N6 O3 Zn
Calculated formula	C13 H14 N6 O3 Zn
Title of publication	Structural Diversity and Photoluminescent Properties of Zinc Benzotriazole-5-carboxylate Coordination Polymers.
Authors of publication	Liu, Juan; Zhang, Hua-Bin; Tan, Yan-Xi; Wang, Fei; Kang, Yao; Zhang, Jian
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1500 - 1506
a	14.531 ± 0.002 Å
b	21.96 ± 0.002 Å
c	9.8361 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3138.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.09
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1346
Weighted residual factors for all reflections included in the refinement	0.1533
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179476 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/73.	4337321.cif
106272	2014-03-15	cif/ Adding structures of 4337320, 4337321, 4337322, 4337323 via cif-deposit CGI script.	4337321.cif