Crystallography Open Database

Information card for entry 4078997

Preview

Coordinates	4078997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H69 B F24 N2 O2 Pd
Calculated formula	C71 H68 B F24 N2 O2 Pd
Title of publication	Substituent Effects of the Backbone in α-Diimine Palladium Catalysts on Homo- and Copolymerization of Ethylene with Methyl Acrylate
Authors of publication	Guo, Lihua; Gao, Haiyang; Guan, Qirui; Hu, Haibin; Deng, Juean; Liu, Jun; Liu, Fengshou; Wu, Qing
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	17
Pages of publication	6054
a	28.532 ± 0.003 Å
b	14.8505 ± 0.0015 Å
c	35.569 ± 0.004 Å
α	90°
β	106.844 ± 0.002°
γ	90°
Cell volume	14425 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.212
Residual factor for significantly intense reflections	0.1149
Weighted residual factors for significantly intense reflections	0.3035
Weighted residual factors for all reflections included in the refinement	0.3725
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178678 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/89.	4078997.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078997.cif
66816	2012-09-14	cif/ Adding structures of 4078995, 4078996, 4078997, 4078998 via cif-deposit CGI script.	4078997.cif