Crystallography Open Database

Information card for entry 4066004

Preview

Coordinates	4066004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H45 Fe I N2 O
Calculated formula	C52 H45 Fe I N2 O
Title of publication	Iron(II) Complexes Bearing Chelating Cyclopentadienyl-N-Heterocyclic Carbene Ligands as Catalysts for Hydrosilylation and Hydrogen Transfer Reactions
Authors of publication	Kandepi, V. V. Krishna Mohan; Cardoso, João M. S.; Peris, Eduardo; Royo, Beatriz
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	12
Pages of publication	2777
a	39.092 ± 0.004 Å
b	12.4169 ± 0.0014 Å
c	20.3028 ± 0.0019 Å
α	90°
β	115.382 ± 0.004°
γ	90°
Cell volume	8903.7 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0945
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1493
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178504 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/60.	4066004.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066004.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066004.cif
33748	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066003, 4066004 via cif-deposit CGI script.	4066004.cif