Crystallography Open Database

Information card for entry 4350835

Preview

Coordinates	4350835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H41 N5 O9 V2
Calculated formula	C36 H41 N5 O9 V2
SMILES	[V]123(=O)(Oc4ccc(C)cc4N=[N]1c1c(cccc1)C(=O)O2)[O]1[V]2(=O)(Oc4ccc(C)cc4N=[N]2c2ccccc2C1=O)[O]3CC.[NH+](CC)(CC)CC
Title of publication	Anionic Dinuclear Oxidovanadium(IV) Complexes with Azo Functionalized Tridentate Ligands and μ-Ethoxido Bridge Leading to an Unsymmetric Twisted Arrangement: Synthesis, X-ray Structure, Magnetic Properties, and Cytotoxicity
Authors of publication	Satabdi Roy; Michael Böhme; Subhashree P. Dash; Monalisa Mohanty; Axel Buchholz; Winfried Plass; Sudarshana Majumder; Senthilguru Kulanthaivel; Indranil Banerjee; Hans Reuter; Werner Kaminsky; Rupam Dinda
Journal of publication	Inorganic Chemistry
Year of publication	2018
Journal volume	57
Journal issue	10
Pages of publication	5767 - 5781
a	11.3507 ± 0.0007 Å
b	12.1801 ± 0.0008 Å
c	13.2 ± 0.0008 Å
α	89.234 ± 0.003°
β	89.231 ± 0.003°
γ	89.799 ± 0.003°
Cell volume	1824.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0362
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
297824 (current)	2025-02-21	cif/ Adding structures of 4350835, 4350836 via cif-deposit CGI script.	4350835.cif