Crystallography Open Database

Information card for entry 7037289

Preview

Coordinates	7037289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 F6 N5 O2 P V
Calculated formula	C22 H20 F6 N5 O2 P V
SMILES	c1cccc2c3cccc[n]3[V]34([n]12)([N](CCc1c[nH]c[n]31)=Cc1c(cccc1)O4)=O.[P](F)(F)(F)(F)(F)[F-]
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	11.4384 ± 0.001 Å
b	13.653 ± 0.0012 Å
c	15.6328 ± 0.0013 Å
α	90°
β	100.74 ± 0.003°
γ	90°
Cell volume	2398.6 ± 0.4 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
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	0.092
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.163
Weighted residual factors for all reflections included in the refinement	0.1877
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	7037289.cif
170382	2015-11-18	cif/ Adding structures of 7037288, 7037289 via cif-deposit CGI script.	7037289.cif