Crystallography Open Database

Information card for entry 4108404

Preview

Coordinates	4108404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 Cl8 K N4 O26 V5
Calculated formula	C56 H52 Cl8 K N4 O26 V5
Title of publication	Directed Assembly of Chiral Oxidovanadium(V) Methoxides into C4-Symmetric Metal(I) Vanadate-Centered Quadruplexes: Synergistic K± and Ag±specific Transport
Authors of publication	Chien-Tien Chen; Ya-Hui Lin; Ting-Shen Kuo
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	12842 - 12843
a	15.2879 ± 0.0004 Å
b	12.7171 ± 0.0004 Å
c	20.9195 ± 0.0007 Å
α	90°
β	103.167 ± 0.001°
γ	90°
Cell volume	3960.2 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.1905
Weighted residual factors for all reflections included in the refinement	0.2152
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178830 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/84.	4108404.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108404.cif
56758	2012-05-15	cif/ Adding structures of 4108404 via cif-deposit CGI script.	4108404.cif