Crystallography Open Database

Information card for entry 7126786

Preview

Coordinates	7126786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Cl4 Co N4 Zn2
Calculated formula	C38 H42 Cl4 Co N4 Zn2
SMILES	[Zn]1(Cl)(Cl)[n]2c3c([n]4[Zn](Cl)(Cl)[n]5c(c4c2c2[n]1cccc2)cccc5)cccc3.[Co]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Quinoxaline radical-bridged transition metal complexes with very strong antiferromagnetic coupling.
Authors of publication	Alexandropoulos, Dimitris I.; Vignesh, Kuduva R.; Xie, Haomiao; Dunbar, Kim R.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	64
Pages of publication	9122 - 9125
a	13.302 ± 0.006 Å
b	15.821 ± 0.007 Å
c	18.6 ± 0.008 Å
α	90°
β	102.662 ± 0.006°
γ	90°
Cell volume	3819 ± 3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0841
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
255974 (current)	2020-09-06	cif/ Updating files of 7126785, 7126786, 7126787 Original log message: Adding full bibliography for 7126785--7126787.cif.	7126786.cif
253541	2020-06-30	cif/ Adding structures of 7126785, 7126786, 7126787 via cif-deposit CGI script.	7126786.cif