Crystallography Open Database

Information card for entry 4510331

Preview

Coordinates	4510331.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H32 N6 O8 Zn2
Calculated formula	C52 H32 N6 O8 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	12.4642 ± 0.0019 Å
b	12.5823 ± 0.0017 Å
c	15.269 ± 0.002 Å
α	104.357 ± 0.002°
β	108.967 ± 0.002°
γ	90.771 ± 0.003°
Cell volume	2182.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0756
Weighted residual factors for significantly intense reflections	0.1281
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	4510331.cif
109043	2014-04-07	cif/ Adding structures of 4510331 via cif-deposit CGI script.	4510331.cif