Crystallography Open Database

Information card for entry 4073130

Preview

Coordinates	4073130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H32 F3 Fe2 N O5 S
Calculated formula	C29 H32 F3 Fe2 N O5 S
Title of publication	Alkyne−Isocyanide Coupling in [Fe2(CNMe)(CO)3(Cp)2]: A New Route to Diiron μ-Vinyliminium Complexes†
Authors of publication	Albano, Vincenzo G.; Busetto, Luigi; Marchetti, Fabio; Monari, Magda; Zacchini, Stefano; Zanotti, Valerio
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	14
Pages of publication	3448
a	8.2804 ± 0.0003 Å
b	12.4402 ± 0.0004 Å
c	15.0634 ± 0.0005 Å
α	107.47 ± 0.001°
β	101.819 ± 0.001°
γ	91.795 ± 0.001°
Cell volume	1441.55 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0833
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1931
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178620 (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 4/07/31.	4073130.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4073130.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073130.cif
46181	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073129, 4073130, 4073131, 4073132 via cif-deposit CGI script.	4073130.cif