Crystallography Open Database

Information card for entry 7037288

Preview

Coordinates	7037288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Cl N4 O9 V
Calculated formula	C26 H27 Cl N4 O9 V
SMILES	[V]123(=O)(Oc4c(C=[N]3c3c(O1)cccc3)c(c[nH+]c4C)CO)[n]1ccccc1c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].OCC
Title of publication	Endoplasmic reticulum targeting tumour selective photocytotoxic oxovanadium(iv) complexes having vitamin-B6 and acridinyl moieties.
Authors of publication	Banerjee, Samya; Dixit, Akanksha; Karande, Anjali A.; Chakravarty, Akhil R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	45
Journal issue	2
Pages of publication	783 - 796
a	9.4205 ± 0.0005 Å
b	11.9369 ± 0.0011 Å
c	13.5029 ± 0.0011 Å
α	68.758 ± 0.008°
β	77.535 ± 0.005°
γ	84.902 ± 0.006°
Cell volume	1381.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0862
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176001 (current)	2016-02-05	cif/ Updating files of 7037288, 7037289 Original log message: Adding full bibliography for 7037288--7037289.cif.	7037288.cif
170382	2015-11-18	cif/ Adding structures of 7037288, 7037289 via cif-deposit CGI script.	7037288.cif