Crystallography Open Database

Information card for entry 2023354

2023353 << 2023354 >> 2023355

Preview

Coordinates	2023354.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Hexakis(isoquinoline <i>N</i>-oxide-κ<i>O</i>)zinc(II) bis(perchlorate)
Formula	C54 H42 Cl2 N6 O14 Zn
Calculated formula	C54 H42 Cl2 N6 O14 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	12.8217 ± 0.0004 Å
b	12.8217 ± 0.0004 Å
c	26.5684 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	3782.6 ± 0.2 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	2023354.cif