Crystallography Open Database

Information card for entry 4301920

4301919 << 4301920 >> 4301921

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Coordinates	4301920.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	decamethylferrocenium tetracyanoethenide
Formula	C26 H30 Fe N4
Calculated formula	C26 H30 Fe N4
Title of publication	Structure and Magnetic Interactions in the Organic-Based Ferromagnet Decamethylferrocenium Tetracyanoethenide, [FeCp*2].+[TCNE].-
Authors of publication	Jae-Hyuk Her; Peter W. Stephens; Jordi Ribas-Ariño; Juan J. Novoa; William W. Shum; Joel S. Miller
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3296 - 3307
a	9.71 ± 0.0007 Å
b	14.4926 ± 0.001 Å
c	9.4997 ± 0.0007 Å
α	90°
β	113.153 ± 0.001°
γ	90°
Cell volume	1229.16 ± 0.15 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Goodness-of-fit parameter for all reflections	2.125
Method of determination	powder diffraction
Diffraction radiation wavelength	0.699532 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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