Crystallography Open Database

Information card for entry 4333434

Preview

Coordinates	4333434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N3 O6 S V
Calculated formula	C24 H21 N3 O6 S V
SMILES	[V]123([n]4cccc5ccc6ccc[n]1c6c45)([N](=Cc1c(cccc1)O3)[C@H](C(=O)O2)CCSC)=O.O.O
Title of publication	DNA Cleavage by New Oxovanadium(IV) Complexes ofN-Salicylidene α-Amino Acids and Phenanthroline Bases in the Photodynamic Therapy Window
Authors of publication	Sasmal, Pijus K.; Patra, Ashis K.; Nethaji, Munirathinam; Chakravarty, Akhil R.
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11112 - 11121
a	10 ± 0.003 Å
b	15.541 ± 0.004 Å
c	15.83 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2460.1 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1503
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.1176
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179437 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/34.	4333434.cif
99000	2014-01-30	cif/ Adding structures of 4333434 via cif-deposit CGI script.	4333434.cif