Crystallography Open Database

Information card for entry 7023163

Preview

Coordinates	7023163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H35 N4 Na O11 V
Calculated formula	C38 H35 N4 Na O11 V
SMILES	[V]12(Oc3c(O1)ccc1c3C(=O)c3c(C1=O)cccc3)(Oc1c(O2)ccc2c1C(=O)c1c(C2=O)cccc1)=O.[Na+].N(C=O)(C)C.N1CCC[NH+]=C1.N(C=O)(C)C
Title of publication	The syntheses and characterizations of vanadium complexes with 1,2-dihydroxyanthraquinone and the structure-effect relationship in their in vitro anticancer activities.
Authors of publication	Du, Shizhen; Feng, Jun; Lu, Xiaoming; Wang, Guo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	26
Pages of publication	9699 - 9705
a	10.068 ± 0.0011 Å
b	12.8419 ± 0.0014 Å
c	29.029 ± 0.003 Å
α	90°
β	106.212 ± 0.002°
γ	90°
Cell volume	3604 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
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	0.2031
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2414
Weighted residual factors for all reflections included in the refinement	0.3409
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179936 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/31.	7023163.cif
90452	2013-11-17	cif/ Adding structures of 7023162, 7023163 via cif-deposit CGI script.	7023163.cif