Crystallography Open Database

Information card for entry 7019940

7019939 << 7019940 >> 7019941

Preview

Coordinates	7019940.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 Br N O7.5 V
Calculated formula	C14 H15 Br N O7.5 V
SMILES	[V]12([N](=Cc3c(O1)ccc(Br)c3)c1ccccc1C(=O)O2)(=O)([OH2])[OH2].O.O
Title of publication	Synthesis and evaluation of oxovanadium(iv) complexes of Schiff-base condensates from 5-substituted-2-hydroxybenzaldehyde and 2-substituted-benzenamine as selective inhibitors of protein tyrosine phosphatase 1B.
Authors of publication	Han, Hong; Lu, Liping; Wang, Qingming; Zhu, Miaoli; Yuan, Caixia; Xing, Shu; Fu, Xueqi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	36
Pages of publication	11116 - 11124
a	33.835 ± 0.004 Å
b	7.374 ± 0.0009 Å
c	13.0857 ± 0.0015 Å
α	90°
β	92.497 ± 0.002°
γ	90°
Cell volume	3261.8 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7019940.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019940.cif
66502	2012-09-11	cif/ Adding structures of 7019940 via cif-deposit CGI script.	7019940.cif