Crystallography Open Database

Information card for entry 4112976

Preview

Coordinates	4112976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H65 B F24 N2 O2 Pd
Calculated formula	C66 H65 B F24 N2 O2 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	12.8098 ± 0.0007 Å
b	28.259 ± 0.002 Å
c	19.154 ± 0.001 Å
α	90°
β	103.45 ± 0.001°
γ	90°
Cell volume	6743.4 ± 0.7 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
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	0.1071
Residual factor for significantly intense reflections	0.0726
Weighted residual factors for significantly intense reflections	0.1866
Weighted residual factors for all reflections included in the refinement	0.2107
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	4112976.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112976.cif
65395	2012-09-05	cif/ Adding structures of 4112976 via cif-deposit CGI script.	4112976.cif