Crystallography Open Database

Information card for entry 4320645

4320644 << 4320645 >> 4320646

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Coordinates	4320645.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H42 F80 Fe Mn12 O50
Calculated formula	C132 F80 Fe Mn12 O50
Title of publication	Effects of Paramagnetic Ferrocenium Cations on the Magnetic Properties of the Anionic Single-Molecule Magnet [Mn12O12(O2CC6F5)16(H2O)4]-
Authors of publication	Takayoshi Kuroda-Sowa; Matthew Lam; Arnold L. Rheingold; Christoph Frommen; William M. Reiff; Motohiro Nakano; Jae Yoo; A. L. Maniero; Louis-Claude Brunel; George Christou; David N. Hendrickson
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	6469 - 6480
a	25.6292 ± 0.0002 Å
b	25.4201 ± 0.0003 Å
c	29.1915 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	19018.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.152
Residual factor for significantly intense reflections	0.1342
Weighted residual factors for significantly intense reflections	0.3373
Weighted residual factors for all reflections included in the refinement	0.3555
Goodness-of-fit parameter for all reflections included in the refinement	2.753
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
179309 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/06.	4320645.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320645.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320645.cif
17841	2011-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4320645 via cif-deposit CGI script.	4320645.cif