Crystallography Open Database

Information card for entry 8105239

Preview

Coordinates	8105239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cl2 N4 O2 Zn
Calculated formula	C24 H20 Cl2 N4 O2 Zn
SMILES	[Zn](Cl)(Cl)([n]1ccc(/C=N/c2c(O)cccc2)cc1)[n]1ccc(/C=N/c2c(O)cccc2)cc1
Title of publication	Crystal structure of dichlorido-bis((E)-2-((pyridin-4-ylmethylene)amino)phenol)zinc(II), C24H20Cl2N4O2Zn
Authors of publication	Adeleke, Adesola A.; Zamisa, Sizwe J.; Omondi, Bernard
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	3
Pages of publication	625 - 628
a	9.2965 ± 0.0006 Å
b	15.3678 ± 0.0011 Å
c	16.6358 ± 0.0011 Å
α	102.76 ± 0.001°
β	90.385 ± 0.002°
γ	94.112 ± 0.003°
Cell volume	2311.4 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.034
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
275394 (current)	2022-05-13	cif/ Adding structures of 8105239 via cif-deposit CGI script.	8105239.cif