Crystallography Open Database

Information card for entry 4108405

Preview

Coordinates	4108405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 Cl8 Cs N4 O21 V5
Calculated formula	C52 H52 Cl8 Cs N4 O21 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	15.2137 ± 0.0004 Å
b	12.7086 ± 0.0003 Å
c	21.7372 ± 0.0006 Å
α	90°
β	107.063 ± 0.001°
γ	90°
Cell volume	4017.78 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.057
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	0.973
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.	4108405.cif
132013	2015-02-19	cif/4/10/84/ (antanas@koala.ibt.lt) Removing 7 extra text strings similar to '? 9 ? 2-Csa7284-cif' that were inserted into the '_geom_angle' loop for CIF 4108405.	4108405.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108405.cif
56759	2012-05-15	cif/ Adding structures of 4108405 via cif-deposit CGI script.	4108405.cif