Crystallography Open Database

Information card for entry 4350720

Preview

Coordinates	4350720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C111.5 H138.5 Cl1.5 F6 Fe6 Li O33 P
Calculated formula	C111 H102 Cl1.5 F6 Fe6 Li O33 P
Title of publication	Modulated Magnetic Coupling in Alkoxoiron(III) Rings by Host−Guest Interactions with Alkali Metal Cations
Authors of publication	Abbati, Gian Luca; Cornia, Andrea; Fabretti, Antonio C.; Malavasi, Wanda; Schenetti, Luisa; Caneschi, Andrea; Gatteschi, Dante
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Journal issue	27
Pages of publication	6443
a	14.523 ± 0.002 Å
b	14.523 ± 0.002 Å
c	14.523 ± 0.002 Å
α	84.35 ± 0.01°
β	84.35 ± 0.01°
γ	84.35 ± 0.01°
Cell volume	3021.3 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	8
Space group number	148
Hermann-Mauguin space group symbol	R -3 :R
Hall space group symbol	-P 3*
Residual factor for all reflections	0.1382
Residual factor for significantly intense reflections	0.0733
Weighted residual factors for all reflections	0.253
Weighted residual factors for significantly intense reflections	0.193
Goodness-of-fit parameter for all reflections	1.042
Goodness-of-fit parameter for significantly intense reflections	1.245
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
239996 (current)	2019-11-25	cif/ Adding structures of 4350720 via cif-deposit CGI script.	4350720.cif