Crystallography Open Database

Information card for entry 1519317

1519316 << 1519317 >> 1519318

Preview

Coordinates	1519317.cif

Structure parameters

Formula	C10 H10 Fe I3
Calculated formula	C12 H12 Fe I3
SMILES	[I-](I)I.[Fe]123456789%10([cH]%11[cH]4[cH]2[cH]5[cH]3[cH]1%11)[cH]1[cH]9[cH]6[cH]%10[cH]7[cH]81
Title of publication	C10H10FeI3
Authors of publication	Bricklebank, Neil; Gelbrich, Thomas; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	831
a	8.461 ± 0.0006 Å
b	8.461 ± 0.0006 Å
c	16.988 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1053.21 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1516
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519317.cif
135668	2015-05-07	cif/ Adding structures of 1519317 via cif-deposit CGI script.	1519317.cif