Crystallography Open Database

Information card for entry 4065222

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Coordinates	4065222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 Cl2 Fe N O4 P Pd S
Calculated formula	C31 H30 Cl2 Fe N O4 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	10.2911 ± 0.0002 Å
b	11.3479 ± 0.0002 Å
c	15.2349 ± 0.0003 Å
α	71.626 ± 0.001°
β	72.345 ± 0.001°
γ	71.369 ± 0.001°
Cell volume	1558.86 ± 0.05 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0896
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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