Crystallography Open Database

Information card for entry 4064267

Preview

Coordinates	4064267.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(E)-(1-Cymantrenyl-2-ferrocenyl)-1,2-difluoroethene
Formula	C20 H13 F2 Fe Mn O3
Calculated formula	C20 H13 F2 Fe Mn O3
Title of publication	Cymantrene- and Ferrocene-Based Complexes with Perfluorinated Bridging Moieties
Authors of publication	Roemer, Max; Schmiel, Peter; Lentz, Dieter
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	7
Pages of publication	2063
a	6.764 ± 0.002 Å
b	15.254 ± 0.005 Å
c	16.83 ± 0.005 Å
α	90°
β	97.149 ± 0.007°
γ	90°
Cell volume	1723 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0837
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178536 (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 4/06/42.	4064267.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064267.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064267.cif
32835	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064267 via cif-deposit CGI script.	4064267.cif