Crystallography Open Database

Information card for entry 4112979

Preview

Coordinates	4112979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H65 B F24 N2 O Pd
Calculated formula	C66 H65 B F24.03 N2 O Pd
Title of publication	Palladium-Catalyzed Copolymerization of Ethene with Acrolein Dimethyl Acetal: Catalyst Action and Deactivation
Authors of publication	Weidong Li; Xiaochun Zhang; Auke Meetsma; Bart Hessen
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	12246 - 12247
a	12.5293 ± 0.0008 Å
b	15.592 ± 0.001 Å
c	18.468 ± 0.001 Å
α	77.686 ± 0.001°
β	70.452 ± 0.001°
γ	82.915 ± 0.001°
Cell volume	3316.4 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1599
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.2001
Weighted residual factors for all reflections included in the refinement	0.2318
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4112979.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112979.cif
65398	2012-09-05	cif/ Adding structures of 4112979 via cif-deposit CGI script.	4112979.cif