Crystallography Open Database

Information card for entry 2023351

2023350 << 2023351 >> 2023352

Preview

Coordinates	2023351.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Dichloridobis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II)
Formula	C18 H14 Cl2 N2 O2 Zn
Calculated formula	C18 H14 Cl2 N2 O2 Zn
Title of publication	Crystal structures of zinc(II) coordination complexes with isoquinoline N-oxide
Authors of publication	Groneck, Erin N.; Peek, Nathan; Lynch, Will E.; Padgett, Clifford W.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2025
Journal volume	81
Journal issue	2
a	7.5164 ± 0.0005 Å
b	7.8002 ± 0.0005 Å
c	15.1156 ± 0.001 Å
α	96.172 ± 0.006°
β	92.052 ± 0.005°
γ	96.284 ± 0.005°
Cell volume	874.77 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0747
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
297321 (current)	2025-01-15	cif/ Adding structures of 2023351, 2023352, 2023353, 2023354, 2023355 via cif-deposit CGI script.	2023351.cif