Crystallography Open Database

Information card for entry 1519290

1519289 << 1519290 >> 1519291

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Coordinates	1519290.cif

Structure parameters

Formula	C28 H22 Fe N4 O3
Calculated formula	C28 H22 Fe N4 O3
Title of publication	1,3-(((6-Methylpyrid-2-yl)amino)carbonyl)ferrocene diethylether solvate
Authors of publication	Light, Mark E.; Hursthouse, Michael B.; Green, S. J.; Gasser, G.; Collinson, S. R.; Coles, Simon J.; Westwood, J.; Tucker, J. H. R.
Journal of publication	Crystal Structure Report Archive
Year of publication	2000
Pages of publication	84
a	11.862 ± 0.002 Å
b	17.91 ± 0.004 Å
c	24.123 ± 0.005 Å
α	90°
β	90.95 ± 0.03°
γ	90°
Cell volume	5124.2 ± 1.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1144
Residual factor for significantly intense reflections	0.0623
Weighted residual factors for significantly intense reflections	0.1642
Weighted residual factors for all reflections included in the refinement	0.1872
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	0.71073 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.	1519290.cif
135640	2015-05-06	cif/ Adding structures of 1519290 via cif-deposit CGI script.	1519290.cif