Crystallography Open Database

Information card for entry 4064101

Preview

Coordinates	4064101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H38 Fe3 O3 P2
Calculated formula	C36 H38 Fe3 O3 P2
Title of publication	Synthesis and Decarbonylation Reactions of Diiron Cyclopentadienyl Complexes with Bent-Phosphinidene Bridges
Authors of publication	Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	1102
a	23.646 ± 0.002 Å
b	9.1154 ± 0.0009 Å
c	33.408 ± 0.003 Å
α	90°
β	104.087 ± 0.005°
γ	90°
Cell volume	6984.3 ± 1.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.1176
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1282
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation probe	x-ray
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
178535 (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 4/06/41.	4064101.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064101.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064101.cif
32781	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064100, 4064101 via cif-deposit CGI script.	4064101.cif