Crystallography Open Database

Information card for entry 4071491

Preview

Coordinates	4071491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H18 Fe Li N
Calculated formula	C15 H18 Fe Li N
Title of publication	Structural Features of Lithio[3]ferrocenophane Systems Bearing Stabilizing Dimethylamino Substituents
Authors of publication	Chen, Chao; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3248
a	7.4443 ± 0.0001 Å
b	9.2993 ± 0.0002 Å
c	9.9602 ± 0.0003 Å
α	95.318 ± 0.001°
β	108.51 ± 0.001°
γ	102.226 ± 0.002°
Cell volume	629.43 ± 0.03 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
178603 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/14.	4071491.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071491.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071491.cif
43865	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071491 via cif-deposit CGI script.	4071491.cif