Crystallography Open Database

Information card for entry 7224390

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Structure parameters

Formula	C27 H36 N10 Zn
Calculated formula	C27 H36 N10 Zn
SMILES	c1(ccc(cc1)/C=C/C=[N]1CC(C[N](=C/C=C/c2ccc(cc2)N(C)C)[Zn]1(N=N#N)N=N#N)(C)C)N(C)C
Title of publication	Crystal structure, Hirshfeld surface analyses and thermal behavior of two new rare tetrahedral terminal zinc(II) azide and thiocyanate Schiff base complexes
Authors of publication	Montazerozohori, Morteza; Farokhiani, Sara; Masoudiasl, Ardavan; White, Jonathan M.
Journal of publication	RSC Adv.
Year of publication	2016
a	22.0206 ± 0.0007 Å
b	10.0698 ± 0.0003 Å
c	26.9816 ± 0.0009 Å
α	90°
β	105.807 ± 0.003°
γ	90°
Cell volume	5756.7 ± 0.3 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	4
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	0.0857
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224390.cif
176934	2016-02-25	cif/ Adding structures of 7224389, 7224390 via cif-deposit CGI script.	7224390.cif