Crystallography Open Database

Information card for entry 1519183

1519182 << 1519183 >> 1519184

Preview

Coordinates	1519183.cif

Structure parameters

Formula	C24 H18 Fe
Calculated formula	C24 H18 Fe
SMILES	[Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[c]8([cH]7[cH]6[cH]51)c1c2ccccc2cc2ccccc12
Title of publication	C24H18Fe
Authors of publication	Butler, Ian. R.; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1997
Pages of publication	765
a	10.7966 ± 0.0008 Å
b	17.6155 ± 0.0006 Å
c	17.888 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3402.1 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.121
Residual factor for significantly intense reflections	0.033
Weighted residual factors for all reflections	0.0662
Weighted residual factors for significantly intense reflections	0.0501
Goodness-of-fit parameter for all reflections	0.562
Goodness-of-fit parameter for significantly intense reflections	0.781
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.	1519183.cif
135499	2015-05-04	cif/ Adding structures of 1519183 via cif-deposit CGI script.	1519183.cif