Crystallography Open Database

Information card for entry 7055886

Preview

Coordinates	7055886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 N8 O4 Zn
Calculated formula	C31 H26 N8 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)[n]1ccc(N)cc1.Cc1ccccc1
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	10.5093 ± 0.0002 Å
b	11.7016 ± 0.0002 Å
c	12.5825 ± 0.0002 Å
α	81.159 ± 0.001°
β	86.783 ± 0.001°
γ	72.654 ± 0.001°
Cell volume	1459.34 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0486
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1202
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
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.	7055886.cif
189020	2016-12-09	cif/ Adding structures of 7055882, 7055883, 7055884, 7055885, 7055886, 7055887, 7055888, 7055889 via cif-deposit CGI script.	7055886.cif