Crystallography Open Database

Information card for entry 7016044

Preview

Coordinates	7016044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H10 Fe Se2
Calculated formula	C12 H10 Fe Se2
Title of publication	Homoleptic 1-D iron selenolate complexes-synthesis, structure, magnetic and thermal behaviour of [Fe(SeR)(2)] (R = Ph, Mes).
Authors of publication	Eichhöfer, Andreas; Buth, Gernot; Dolci, Francesco; Fink, Karin; Mole, Richard A.; Wood, Paul T.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	26
Pages of publication	7022 - 7032
a	22.092 ± 0.003 Å
b	22.092 ± 0.003 Å
c	10.887 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5313.5 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0621
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.8 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179864 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/60.	7016044.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7016044.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7016044.cif
23614	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7016044, 7016045, 7016046, 7016047 via cif-deposit CGI script.	7016044.cif