Crystallography Open Database

Information card for entry 4078998

Preview

Coordinates	4078998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H88 B2 F48 N4 O Pd
Calculated formula	C127.3 H87.92 B2 F48 N4 O0.53 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	16.721 Å
b	17.548 Å
c	24.927 Å
α	74.65°
β	87.55°
γ	76.33°
Cell volume	6851.84 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.1726
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2778
Weighted residual factors for all reflections included in the refinement	0.3422
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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.	4078998.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078998.cif
66816	2012-09-14	cif/ Adding structures of 4078995, 4078996, 4078997, 4078998 via cif-deposit CGI script.	4078998.cif