Crystallography Open Database

Information card for entry 4510333

Preview

Coordinates	4510333.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H36 Cd3 N6 O12
Calculated formula	C60 H36 Cd3 N6 O12
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	14.896 ± 0.003 Å
b	9.8043 ± 0.0017 Å
c	17.559 ± 0.003 Å
α	90°
β	93.155 ± 0.003°
γ	90°
Cell volume	2560.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.105
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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.	4510333.cif
109045	2014-04-07	cif/ Adding structures of 4510333 via cif-deposit CGI script.	4510333.cif