Crystallography Open Database

Information card for entry 4337323

Preview

Coordinates	4337323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H12 N12 O8 Zn3
Calculated formula	C28 H12 N12 O8 Zn3
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	10.1264 ± 0.001 Å
b	15.0101 ± 0.0008 Å
c	17.4862 ± 0.0018 Å
α	90°
β	106.359 ± 0.006°
γ	90°
Cell volume	2550.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1633
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	0.97
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.	4337323.cif
106272	2014-03-15	cif/ Adding structures of 4337320, 4337321, 4337322, 4337323 via cif-deposit CGI script.	4337323.cif