Crystallography Open Database

Information card for entry 4102237

Preview

Coordinates	4102237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H40 B F20 N2 Pd
Calculated formula	C55 H40 B F20 N2 Pd
Title of publication	Cationic Polymerization and Insertion Chemistry in the Reactions of Vinyl Ethers with (α-Diimine)PdMe+ Species
Authors of publication	Changle Chen; Shuji Luo; Richard F. Jordan
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5273 - 5284
a	15.922 ± 0.003 Å
b	20.076 ± 0.004 Å
c	19.176 ± 0.003 Å
α	90°
β	121.573 ± 0.01°
γ	90°
Cell volume	5222.3 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1042
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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
178768 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/22.	4102237.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102237.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102237.cif
25095	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102237 via cif-deposit CGI script.	4102237.cif