Crystallography Open Database

Information card for entry 7044844

Preview

Coordinates	7044844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N5 O5 V
Calculated formula	C19 H19 N5 O5 V
SMILES	[V]12(=O)(OC(=O)c3cccc([n]13)C(=O)O2)([n]1ccn(c1)CC=C)[n]1ccn(c1)CC=C
Title of publication	Syntheses, crystal structures, DFT calculations, protein interaction and anticancer activities of water soluble dipicolinic acid-imidazole based oxidovanadium(iv) complexes
Authors of publication	Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Acharya, Krishnendu; Chandra, Swarnendu
Journal of publication	Dalton Transactions
Year of publication	2017
a	22.8084 ± 0.0016 Å
b	7.7189 ± 0.0005 Å
c	23.1109 ± 0.0019 Å
α	90°
β	96.434 ± 0.007°
γ	90°
Cell volume	4043.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0813
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
203516 (current)	2017-11-24	cif/ Adding structures of 7044843, 7044844, 7044845 via cif-deposit CGI script.	7044844.cif