Crystallography Open Database

Information card for entry 4108403

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Structure parameters

Formula	C15 H20 Cl2 N O6 V
Calculated formula	C15 H20 Cl2 N O6 V
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	27.2736 ± 0.001 Å
b	6.5729 ± 0.0002 Å
c	11.141 ± 0.0005 Å
α	90°
β	94.704 ± 0.002°
γ	90°
Cell volume	1990.48 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
301832 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure.	4108403.cif
178830	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.	4108403.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108403.cif
56757	2012-05-15	cif/ Adding structures of 4108403 via cif-deposit CGI script.	4108403.cif