Crystallography Open Database

Information card for entry 4112977

Preview

Coordinates	4112977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H59 B F24 N2 O Pd
Calculated formula	C64 H59 B F24 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	21.9494 ± 0.0009 Å
b	12.8691 ± 0.0005 Å
c	25.207 ± 0.001 Å
α	90°
β	115.522 ± 0.001°
γ	90°
Cell volume	6425.4 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.1874
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178900 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/29.	4112977.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112977.cif
65396	2012-09-05	cif/ Adding structures of 4112977 via cif-deposit CGI script.	4112977.cif