Crystallography Open Database

Information card for entry 4065219

Preview

Coordinates	4065219.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H62 Cl4 Fe2 N2 O6 P2 Pd2 S2
Calculated formula	C54 H62 Cl4 Fe2 N2 O6 P2 Pd2 S2
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	12.0508 ± 0.0002 Å
b	11.6611 ± 0.0002 Å
c	24.0288 ± 0.0007 Å
α	90°
β	99.615 ± 0.001°
γ	90°
Cell volume	3329.23 ± 0.13 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1995
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
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.	4065219.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065219.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065219.cif
33211	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4065217, 4065218, 4065219, 4065220, 4065221, 4065222 via cif-deposit CGI script.	4065219.cif