Crystallography Open Database

Information card for entry 7224853

Preview

Coordinates	7224853.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ethanol-cis-dioxo-(2-oxobenzaldehyde isonicotinylhydrazonato)tungsten(VI)
Formula	C16 H17 N3 O6 W
Calculated formula	C16 H17 N3 O6 W
SMILES	C1(=N[N]2=Cc3c(c(ccc3)OC)O[W]2(O1)(=O)(=O)[OH]CC)c1ccncc1
Title of publication	Dioxotungsten(VI) complexes with isoniazid-related hydrazones as (pre)catalysts for olefin epoxidation: solvent and ligand substituent effects
Authors of publication	Vrdoljak, Visnja; Pisk, Jana; Prugovečki, Biserka; Agustin, Dominique; Novak, Predrag; Matković-Čalogović, Dubravka
Journal of publication	RSC Adv.
Year of publication	2016
a	7.2563 ± 0.0004 Å
b	10.4696 ± 0.0005 Å
c	12.6154 ± 0.0005 Å
α	113.702 ± 0.004°
β	96.023 ± 0.004°
γ	97.909 ± 0.004°
Cell volume	855.53 ± 0.08 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.0308
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0585
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
181954 (current)	2016-04-07	cif/ Adding structures of 7224853, 7224854, 7224855, 7224856 via cif-deposit CGI script.	7224853.cif