Crystallography Open Database

Information card for entry 1565355

Preview

Coordinates	1565355.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H14 Cu F15 N4 O4
Calculated formula	C29 H14 Cu F15 N4 O4
Title of publication	Reversal of magnetic exchange coupling between copper(II) and Blatter radical depending on the coordination environment
Authors of publication	Sidharth, Thulaseedharan Nair Sailaja; Nasani, Rajendar; Gupta, Arindam; Sooraj, Bhuvanachandran Nair Sreekala; Roy, Subhadip; Mondal, Arpan; Konar, Sanjit
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	503
Pages of publication	119395
a	11.061 ± 0.005 Å
b	11.877 ± 0.005 Å
c	12.695 ± 0.005 Å
α	111.17 ± 0.02°
β	90.31 ± 0.02°
γ	90.25 ± 0.02°
Cell volume	1555.2 ± 1.2 Å³
Cell temperature	144 ± 2 K
Ambient diffraction temperature	144.36 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	0.0696
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270827 (current)	2021-11-23	cif/ Adding structures of 1565355, 1565356 via cif-deposit CGI script.	1565355.cif