Crystallography Open Database

Information card for entry 4337322

Preview

Coordinates	4337322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 N8 O4 Zn2
Calculated formula	C27 H20 N8 O4 Zn2
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	18.1524 ± 0.0007 Å
b	18.1524 ± 0.0007 Å
c	27.5897 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	9091.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.1833
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2108
Weighted residual factors for all reflections included in the refinement	0.238
Goodness-of-fit parameter for all reflections included in the refinement	0.946
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.	4337322.cif
106272	2014-03-15	cif/ Adding structures of 4337320, 4337321, 4337322, 4337323 via cif-deposit CGI script.	4337322.cif