Crystallography Open Database

Information card for entry 4065220

Preview

Coordinates	4065220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H28 Cl2 Fe N O3 P Pd S
Calculated formula	C29 H28 Cl2 Fe N O3 P Pd S
Title of publication	o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization
Authors of publication	Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	19
Pages of publication	5248
a	17.8906 ± 0.0007 Å
b	9.3517 ± 0.0005 Å
c	17.9434 ± 0.0008 Å
α	90°
β	102.814 ± 0.002°
γ	90°
Cell volume	2927.3 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
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	0.112
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1711
Weighted residual factors for all reflections included in the refinement	0.1905
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
178545 (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 4/06/52.	4065220.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065220.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065220.cif
33211	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065217, 4065218, 4065219, 4065220, 4065221, 4065222 via cif-deposit CGI script.	4065220.cif