Crystallography Open Database

Information card for entry 7211351

Preview

Coordinates	7211351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 Cd3 N12 O10
Calculated formula	C38 H25 Cd3 N12 O9.5
Title of publication	Structural modulation and properties of four cadmium(ii) coordination architectures based on 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole and aromatic polycarboxylate ligands
Authors of publication	Wang, Yu-Fang; Zhuo-Li,; Sun, Yan-Chun; Zhao, Jian-She; Wang, Li-Ya
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	46
Pages of publication	9980
a	8.817 ± 0.003 Å
b	35.043 ± 0.011 Å
c	14.69 ± 0.004 Å
α	90°
β	121.574 ± 0.014°
γ	90°
Cell volume	3867 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0662
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
180444 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/13.	7211351.cif
91438	2013-12-13	cif/ Adding structures of 7211350, 7211351, 7211352, 7211353 via cif-deposit CGI script.	7211351.cif