Crystallography Open Database

Information card for entry 4510329

Preview

Coordinates	4510329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cl N3 O2 Zn
Calculated formula	C22 H14 Cl N3 O2 Zn
Title of publication	Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand
Authors of publication	Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	4
Pages of publication	1629
a	12.1335 ± 0.0011 Å
b	7.9711 ± 0.0007 Å
c	20.3084 ± 0.0019 Å
α	90°
β	97.443 ± 0.001°
γ	90°
Cell volume	1947.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179650 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/03.	4510329.cif
109041	2014-04-07	cif/ Adding structures of 4510329 via cif-deposit CGI script.	4510329.cif