Crystallography Open Database

Information card for entry 7055887

Preview

Coordinates	7055887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H12 N6 O4 Zn
Calculated formula	C19 H12 N6 O4 Zn
SMILES	[Zn]12([n]3c(C(=O)O1)ccc(c3)C#N)([n]1c(C(=O)O2)ccc(c1)C#N)[n]1ccc(N)cc1
Title of publication	Vanadium and zinc complexes of 5-cyanopicolinate and pyrazine derivatives: synthesis, structural elucidation and in vitro insulino-mimetic activity study
Authors of publication	Koleša-Dobravc, Tanja; Maejima, Keiichi; Yoshikawa, Yutaka; Meden, Anton; Yasui, Hiroyuki; Perdih, Franc
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	2
Pages of publication	735
a	10.13 ± 0.0001 Å
b	11.4236 ± 0.0002 Å
c	17.9233 ± 0.0003 Å
α	90°
β	114.146 ± 0.001°
γ	90°
Cell volume	1892.63 ± 0.05 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0334
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.0729
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
191699 (current)	2017-02-04	cif/ Updating files of 7055882, 7055883, 7055884, 7055885, 7055886, 7055887, 7055888, 7055889 Original log message: Adding full bibliography for 7055882--7055889.cif.	7055887.cif
189020	2016-12-09	cif/ Adding structures of 7055882, 7055883, 7055884, 7055885, 7055886, 7055887, 7055888, 7055889 via cif-deposit CGI script.	7055887.cif