Crystallography Open Database

Information card for entry 4064152

Preview

Coordinates	4064152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H27 Cl3 Fe3
Calculated formula	C31 H28 Cl3 Fe3
Title of publication	New and Selective Routes to Functionalized Biferrocenes and Terferrocenes by [3 + 2] Cycloadditions of Alkynes with Bridging C3Ligands in Diiron Complexes
Authors of publication	Salmi, Mauro; Busetto, Luigi; Mazzoni, Rita; Zacchini, Stefano; Zanotti, Valerio
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	5
Pages of publication	1175
a	18.391 ± 0.002 Å
b	20.224 ± 0.003 Å
c	7.7205 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2871.6 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0199
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.0481
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	4064152.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064152.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064152.cif
32803	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064152 via cif-deposit CGI script.	4064152.cif