Crystallography Open Database

Information card for entry 7126787

Preview

Coordinates	7126787.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H42 Cl4 Co Fe2 N4
Calculated formula	C38 H42 Cl4 Co Fe2 N4
SMILES	[Fe]1(Cl)(Cl)[n]2c3c([n]4[Fe](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	13.44 ± 0.003 Å
b	15.842 ± 0.003 Å
c	18.607 ± 0.004 Å
α	90°
β	102.501 ± 0.01°
γ	90°
Cell volume	3867.8 ± 1.4 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	0.0309
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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.	7126787.cif
253541	2020-06-30	cif/ Adding structures of 7126785, 7126786, 7126787 via cif-deposit CGI script.	7126787.cif