Crystallography Open Database

Information card for entry 4132427

Preview

Coordinates	4132427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H72 Cr2 F12 Fe2 N28 O10 P2
Calculated formula	C72 H68 Cr2 F12 Fe2 N28 O10 P2
Title of publication	Cyano-Bridged Fe(II)-Cr(III) Single-Chain Magnet Based on Pentagonal Bipyramid Units: On the Added Value of Aligned Axial Anisotropy.
Authors of publication	Pichon, Céline; Suaud, Nicolas; Duhayon, Carine; Guihéry, Nathalie; Sutter, Jean-Pascal
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	24
Pages of publication	7698 - 7704
a	16.3144 ± 0.0013 Å
b	17.0403 ± 0.0013 Å
c	18.0957 ± 0.0014 Å
α	105.937 ± 0.002°
β	90.656 ± 0.003°
γ	111.646 ± 0.002°
Cell volume	4460.3 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1293
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for all reflections	0.1072
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0657
Goodness-of-fit parameter for all reflections included in the refinement	1.1351
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
242415 (current)	2019-11-26	cif/ Adding structures of 4132427 via cif-deposit CGI script.	4132427.cif