Crystallography Open Database

Information card for entry 4510330

Preview

Coordinates	4510330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H34 N6 O9 Zn2
Calculated formula	C52 H34 N6 O9 Zn2
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	12.5807 ± 0.0016 Å
b	9.3402 ± 0.0012 Å
c	19.104 ± 0.003 Å
α	90°
β	103.775 ± 0.003°
γ	90°
Cell volume	2180.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0925
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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.	4510330.cif
109042	2014-04-07	cif/ Adding structures of 4510330 via cif-deposit CGI script.	4510330.cif