Crystallography Open Database

Information card for entry 1565356

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Coordinates	1565356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H28 Cl2 Cu F6 N8 O9
Calculated formula	C39 H28 Cl2 Cu F6 N8 O9
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	8.4593 ± 0.0006 Å
b	28.734 ± 0.002 Å
c	16.6377 ± 0.0012 Å
α	90°
β	92.042 ± 0.003°
γ	90°
Cell volume	4041.5 ± 0.5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 K
Number of distinct elements	7
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	0.0936
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1437
Weighted residual factors for all reflections included in the refinement	0.1596
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	1565356.cif