Crystallography Open Database

Information card for entry 4071451

Preview

Coordinates	4071451.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(μ~2~-(ferrocen-1,1'-diyl)-bis(ethoxy-methylidene)-C,C')- bis(pentacarbonyl-chromium)
Formula	C26 H18 Cr2 Fe O12
Calculated formula	C26 H18 Cr2 Fe O12
Title of publication	Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium
Authors of publication	Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2447
a	12.391 ± 0.0015 Å
b	14.6211 ± 0.0017 Å
c	14.9681 ± 0.0018 Å
α	90°
β	90.047 ± 0.002°
γ	90°
Cell volume	2711.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0408
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4071451.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071451.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071451.cif
43850	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071451 via cif-deposit CGI script.	4071451.cif